 Entering Gaussian System, Link 0=g16
 Input=07_transpinane_STD_wB97XD-augccpVDZr.in
 Output=07_transpinane_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/07_transpinane_STD/Gau-93089.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/07_transpinane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     93090.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=07_transpinane_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 22:54:46 2021, MaxMem= 17179869184 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "07_transpinane_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.528880000000      1.093729000000      0.246966000000
  C                                                -1.321456000000     -0.416759000000      0.534617000000
  C                                                -0.251555000000      1.852797000000     -0.188359000000
  C                                                 0.770710000000      0.903021000000     -0.813047000000
  C                                                 1.207111000000     -0.195282000000      0.209826000000
  C                                                -0.097064000000     -0.937248000000     -0.228322000000
  C                                                 0.020234000000     -0.208022000000     -1.592788000000
  H                                                -1.986528000000      1.578225000000      1.111675000000
  C                                                -2.579256000000     -1.209394000000      0.185867000000
  H                                                -1.133681000000     -0.556858000000      1.602321000000
  H                                                 1.569849000000      1.446260000000     -1.321922000000
  C                                                 1.387674000000      0.189094000000      1.672498000000
  C                                                 2.463556000000     -0.935948000000     -0.249050000000
  H                                                -0.064495000000     -2.029648000000     -0.222695000000
  H                                                 0.653697000000     -0.734184000000     -2.301610000000
  H                                                -0.904266000000      0.071251000000     -2.098034000000
  H                                                 0.543396000000      0.733850000000      2.089372000000
  H                                                 2.274733000000      0.817174000000      1.790633000000
  H                                                 1.536666000000     -0.704580000000      2.284391000000
  H                                                 2.414606000000     -1.247642000000     -1.291582000000
  H                                                 2.620603000000     -1.831637000000      0.357494000000
  H                                                 3.344630000000     -0.299271000000     -0.134439000000
  H                                                -2.262427000000      1.175948000000     -0.557656000000
  H                                                -0.525798000000      2.622427000000     -0.914283000000
  H                                                 0.202587000000      2.377960000000      0.654229000000
  H                                                -2.781972000000     -1.167070000000     -0.887575000000
  H                                                -3.453499000000     -0.808443000000      0.704109000000
  H                                                -2.474549000000     -2.259702000000      0.466325000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     28 NQM=       28 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28
 IAtWgt=           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul  9 22:54:46 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.551561   0.000000
     3  C    1.548306   2.611181   0.000000
     4  C    2.539313   2.816944   1.528835   0.000000
     5  C    3.024661   2.558944   2.545758   1.563005   0.000000
     6  C    2.529993   1.533662   2.794605   2.116961   1.563125
     7  C    2.734777   2.523798   2.508638   1.551008   2.158299
     8  H    1.091742   2.180660   2.185317   3.429696   3.762710
     9  C    2.532074   1.527075   3.864615   4.084409   3.919894
    10  H    2.172005   1.093105   3.129076   3.404696   2.747560
    11  H    3.491104   3.908609   2.183518   1.092101   2.274311
    12  C    3.369984   3.000203   2.986263   2.658622   1.523075
    13  C    4.506125   3.900001   3.892635   2.562348   1.528989
    14  H    3.481449   2.180570   3.887100   3.105902   2.273534
    15  H    3.821014   3.470760   3.460893   2.215841   2.627545
    16  H    2.633368   2.709807   2.691987   2.269048   3.139295
    17  H    2.796122   2.686789   2.659332   2.916218   2.199204
    18  H    4.114227   4.004091   3.372100   3.008090   2.159591
    19  H    4.096656   3.363541   3.981508   3.572841   2.161437
    20  H    4.837378   4.240699   4.235356   2.748953   2.195389
    21  H    5.078208   4.192026   4.703435   3.502945   2.167354
    22  H    5.083013   4.715273   4.191283   2.920801   2.167561
    23  H    1.091910   2.148302   2.153627   3.056081   3.808805
    24  H    2.166008   3.459629   1.092934   2.155815   3.493720
    25  H    2.193876   3.185509   1.091786   2.156643   2.797881
    26  H    2.822877   2.172258   4.001438   4.112466   4.249876
    27  H    2.744339   2.174339   4.258068   4.803625   4.726687
    28  H    3.491118   2.175023   4.720483   4.708643   4.228740
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.551547   0.000000
     8  H    3.419542   3.812072   0.000000
     9  C    2.531184   3.305103   2.996542   0.000000
    10  H    2.137879   3.414957   2.350885   2.126460   0.000000
    11  H    3.107357   2.282832   4.311337   5.151796   4.457887
    12  C    2.661994   3.562259   3.691808   4.461208   2.630323
    13  C    2.560704   2.881897   5.289224   5.068913   4.063422
    14  H    1.092900   2.280933   4.300175   2.676521   2.577393
    15  H    2.214362   1.086531   4.895767   4.106745   4.297306
    16  H    2.272547   1.089939   3.707357   3.108351   3.760290
    17  H    2.928218   3.836551   2.840665   4.141314   2.171574
    18  H    3.574856   4.193010   4.381612   5.499406   3.679771
    19  H    3.006149   4.192690   4.358825   4.647521   2.760035
    20  H    2.745060   2.627651   5.755966   5.207972   4.630572
    21  H    2.920415   3.633407   5.781142   5.239769   4.155635
    22  H    3.501583   3.631352   5.787835   6.001945   4.810193
    23  H    3.043494   2.863112   1.739141   2.518544   2.990349
    24  H    3.650430   2.961412   2.707138   4.484403   4.100082
    25  H    3.443732   3.430691   2.375091   4.563674   3.361197
    26  H    2.774196   3.044578   3.488033   1.093235   3.047754
    27  H    3.485925   4.207501   2.830954   1.092537   2.500327
    28  H    2.807820   3.830572   3.922286   1.092139   2.447058
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.252723   0.000000
    13  C    2.761283   2.472972   0.000000
    14  H    3.995162   3.259351   2.754617   0.000000
    15  H    2.559972   4.145443   2.743957   2.552629   0.000000
    16  H    2.935003   4.414044   3.971828   2.938688   1.765621
    17  H    3.632914   1.087818   3.455931   3.654053   4.631200
    18  H    3.252785   1.093304   2.696182   4.198794   4.667004
    19  H    4.199132   1.093282   2.707578   3.256532   4.670323
    20  H    2.823410   3.450300   1.089230   2.810693   2.093943
    21  H    3.830030   2.707896   1.093077   2.754193   3.484818
    22  H    2.758050   2.707988   1.093062   3.824150   3.482370
    23  H    3.917079   4.389841   5.185582   3.901147   3.897917
    24  H    2.437473   4.034095   4.694764   4.725769   3.818733
    25  H    2.577333   2.689319   4.112162   4.501926   4.315776
    26  H    5.094752   5.077313   5.289300   2.927591   3.740415
    27  H    5.867070   5.036846   5.994690   3.719631   5.090081
    28  H    5.769674   4.729505   5.162264   2.517148   4.446863
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.479858   0.000000
    18  H    5.077811   1.758896   0.000000
    19  H    5.075994   1.758891   1.761895   0.000000
    20  H    3.661250   4.342648   3.712557   3.721999   0.000000
    21  H    4.698436   3.727722   3.031454   2.481554   1.761515
    22  H    4.695328   3.722847   2.469217   3.046924   1.761628
    23  H    2.331892   3.882634   5.121426   5.103599   5.318559
    24  H    2.837781   3.705650   4.291676   5.055121   4.875014
    25  H    3.757789   2.208820   2.832182   3.733530   4.671638
    26  H    2.554296   4.851163   6.056425   5.378280   5.212882
    27  H    3.889017   4.502532   6.052752   5.235439   6.213721
    28  H    3.804611   4.550124   5.811767   4.670505   5.293235
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764755   0.000000
    23  H    5.807499   5.813301   0.000000
    24  H    5.599638   4.911689   2.288092   0.000000
    25  H    4.863698   4.202618   2.998298   1.746579   0.000000
    26  H    5.583875   6.233421   2.422500   4.410365   4.883850
    27  H    6.169423   6.868550   2.636003   4.791815   4.850012
    28  H    5.114260   6.169850   3.591270   5.434969   5.358197
                   26         27         28
    26  H    0.000000
    27  H    1.764375   0.000000
    28  H    1.766748   1.766646   0.000000
 Stoichiometry    C10H18
 Framework group  C1[X(C10H18)]
 Deg. of freedom    78
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.82D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9658786           1.1625021           1.0803891
 Leave Link  202 at Fri Jul  9 22:54:46 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     15     16     17     18     19     20
 Centers:      21     22     23     24     25     26     27     28
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 424 were deleted.
 There are   412 symmetry adapted cartesian basis functions of A   symmetry.
 There are   392 symmetry adapted basis functions of A   symmetry.
   392 basis functions,   686 primitive gaussians,   412 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       595.1708560182 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   28 NActive=   28 NUniq=   28 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0245504792 Hartrees.
 Nuclear repulsion after empirical dispersion term =      595.1463055390 Hartrees.
 Leave Link  301 at Fri Jul  9 22:54:48 2021, MaxMem= 17179869184 cpu:              16.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   392 RedAO= T EigKep=  1.88D-06  NBF=   392
 NBsUse=   392 1.00D-06 EigRej= -1.00D+00 NBFU=   392
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   412   412   412   412   412 MxSgAt=    28 MxSgA2=    28.
 Leave Link  302 at Fri Jul  9 22:54:48 2021, MaxMem= 17179869184 cpu:               5.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 22:54:48 2021, MaxMem= 17179869184 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "07_transpinane_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 22:54:49 2021, MaxMem= 17179869184 cpu:               5.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179520668 LenY= 17179350483
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -391.815478827189    
 DIIS: error= 1.37D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -391.815478827189     IErMin= 1 ErrMin= 1.37D-03
 ErrMax= 1.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.00D-03 BMatP= 5.00D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.37D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.446 Goal=   None    Shift=    0.000
 GapD=    0.446 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=3.18D-02 MaxDP=4.03D+00              OVMax= 9.89D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.35D-02    CP:  1.62D+00
 E= -391.819475769777     Delta-E=       -0.003996942589 Rises=F Damp=F
 DIIS: error= 1.93D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -391.819475769777     IErMin= 2 ErrMin= 1.93D-04
 ErrMax= 1.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.28D-05 BMatP= 5.00D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.93D-03
 Coeff-Com: -0.524D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.523D-01 0.105D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=4.00D-03 MaxDP=5.96D-01 DE=-4.00D-03 OVMax= 2.23D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.82D-04    CP:  1.70D+00  1.12D+00
 E= -391.819557788348     Delta-E=       -0.000082018571 Rises=F Damp=F
 DIIS: error= 1.50D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -391.819557788348     IErMin= 3 ErrMin= 1.50D-04
 ErrMax= 1.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-05 BMatP= 6.28D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.50D-03
 Coeff-Com: -0.251D-01 0.357D+00 0.668D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.250D-01 0.356D+00 0.669D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=2.61D-04 MaxDP=3.50D-02 DE=-8.20D-05 OVMax= 9.69D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.44D-05    CP:  1.71D+00  1.13D+00  1.03D+00
 E= -391.819573996655     Delta-E=       -0.000016208307 Rises=F Damp=F
 DIIS: error= 4.58D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -391.819573996655     IErMin= 4 ErrMin= 4.58D-05
 ErrMax= 4.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-06 BMatP= 1.76D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.200D-02-0.263D-01 0.239D+00 0.789D+00
 Coeff:     -0.200D-02-0.263D-01 0.239D+00 0.789D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=7.56D-05 MaxDP=1.11D-02 DE=-1.62D-05 OVMax= 2.41D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.25D-05    CP:  1.71D+00  1.13D+00  1.09D+00  9.11D-01
 E= -391.819576480681     Delta-E=       -0.000002484025 Rises=F Damp=F
 DIIS: error= 7.22D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -391.819576480681     IErMin= 5 ErrMin= 7.22D-06
 ErrMax= 7.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.22D-08 BMatP= 2.40D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-02-0.314D-01 0.147D-01 0.192D+00 0.823D+00
 Coeff:      0.132D-02-0.314D-01 0.147D-01 0.192D+00 0.823D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.16D-05 MaxDP=1.45D-03 DE=-2.48D-06 OVMax= 9.26D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.82D-06    CP:  1.71D+00  1.13D+00  1.10D+00  9.55D-01  1.04D+00
 E= -391.819576574440     Delta-E=       -0.000000093760 Rises=F Damp=F
 DIIS: error= 1.91D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -391.819576574440     IErMin= 6 ErrMin= 1.91D-06
 ErrMax= 1.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.27D-09 BMatP= 8.22D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.490D-03-0.788D-02-0.521D-02 0.226D-01 0.281D+00 0.709D+00
 Coeff:      0.490D-03-0.788D-02-0.521D-02 0.226D-01 0.281D+00 0.709D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=4.71D-06 MaxDP=7.40D-04 DE=-9.38D-08 OVMax= 2.00D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.69D-06    CP:  1.71D+00  1.13D+00  1.10D+00  9.52D-01  1.07D+00
                    CP:  9.65D-01
 E= -391.819576583566     Delta-E=       -0.000000009126 Rises=F Damp=F
 DIIS: error= 4.41D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -391.819576583566     IErMin= 7 ErrMin= 4.41D-07
 ErrMax= 4.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-10 BMatP= 8.27D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.218D-04 0.106D-02-0.211D-02-0.140D-01-0.218D-01 0.115D+00
 Coeff-Com:  0.921D+00
 Coeff:     -0.218D-04 0.106D-02-0.211D-02-0.140D-01-0.218D-01 0.115D+00
 Coeff:      0.921D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=2.10D-06 MaxDP=3.15D-04 DE=-9.13D-09 OVMax= 8.86D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.96D-07    CP:  1.71D+00  1.13D+00  1.09D+00  9.52D-01  1.07D+00
                    CP:  9.95D-01  1.14D+00
 E= -391.819576584133     Delta-E=       -0.000000000567 Rises=F Damp=F
 DIIS: error= 1.01D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -391.819576584133     IErMin= 8 ErrMin= 1.01D-07
 ErrMax= 1.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-11 BMatP= 3.41D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.352D-04 0.778D-03-0.377D-03-0.561D-02-0.235D-01-0.741D-02
 Coeff-Com:  0.257D+00 0.779D+00
 Coeff:     -0.352D-04 0.778D-03-0.377D-03-0.561D-02-0.235D-01-0.741D-02
 Coeff:      0.257D+00 0.779D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=3.23D-07 MaxDP=5.53D-05 DE=-5.67D-10 OVMax= 2.09D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.31D-07    CP:  1.71D+00  1.13D+00  1.09D+00  9.51D-01  1.07D+00
                    CP:  9.93D-01  1.21D+00  1.14D+00
 E= -391.819576584175     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 4.23D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -391.819576584175     IErMin= 9 ErrMin= 4.23D-08
 ErrMax= 4.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-12 BMatP= 2.76D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.853D-05 0.148D-03 0.641D-04-0.364D-03-0.468D-02-0.107D-01
 Coeff-Com: -0.297D-02 0.218D+00 0.801D+00
 Coeff:     -0.853D-05 0.148D-03 0.641D-04-0.364D-03-0.468D-02-0.107D-01
 Coeff:     -0.297D-02 0.218D+00 0.801D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=6.49D-08 MaxDP=3.66D-06 DE=-4.17D-11 OVMax= 7.46D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.72D-08    CP:  1.71D+00  1.13D+00  1.09D+00  9.51D-01  1.07D+00
                    CP:  9.90D-01  1.22D+00  1.18D+00  1.06D+00
 E= -391.819576584181     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 1.37D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -391.819576584181     IErMin=10 ErrMin= 1.37D-08
 ErrMax= 1.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-13 BMatP= 2.55D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.193D-05-0.504D-04 0.293D-04 0.460D-03 0.152D-02-0.999D-03
 Coeff-Com: -0.257D-01-0.436D-01 0.143D+00 0.925D+00
 Coeff:      0.193D-05-0.504D-04 0.293D-04 0.460D-03 0.152D-02-0.999D-03
 Coeff:     -0.257D-01-0.436D-01 0.143D+00 0.925D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=3.58D-08 MaxDP=3.72D-06 DE=-5.91D-12 OVMax= 2.71D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.15D-08    CP:  1.71D+00  1.13D+00  1.09D+00  9.51D-01  1.07D+00
                    CP:  9.89D-01  1.22D+00  1.18D+00  1.11D+00  1.21D+00
 E= -391.819576584142     Delta-E=        0.000000000039 Rises=F Damp=F
 DIIS: error= 3.20D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -391.819576584181     IErMin=11 ErrMin= 3.20D-09
 ErrMax= 3.20D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-14 BMatP= 1.56D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.934D-06-0.218D-04 0.672D-05 0.160D-03 0.669D-03 0.395D-04
 Coeff-Com: -0.819D-02-0.225D-01 0.148D-01 0.298D+00 0.717D+00
 Coeff:      0.934D-06-0.218D-04 0.672D-05 0.160D-03 0.669D-03 0.395D-04
 Coeff:     -0.819D-02-0.225D-01 0.148D-01 0.298D+00 0.717D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=4.24D-09 MaxDP=2.26D-07 DE= 3.91D-11 OVMax= 4.61D-08

 SCF Done:  E(RwB97XD) =  -391.819576584     A.U. after   11 cycles
            NFock= 11  Conv=0.42D-08     -V/T= 2.0066
 KE= 3.892343547728D+02 PE=-2.096803377340D+03 EE= 7.206031404437D+02
 Leave Link  502 at Fri Jul  9 22:58:09 2021, MaxMem= 17179869184 cpu:            2396.6 elap:             200.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   392
 NBasis=   392 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    392 NOA=    39 NOB=    39 NVA=   353 NVB=   353

 **** Warning!!: The largest alpha MO coefficient is  0.96190520D+02

 Leave Link  801 at Fri Jul  9 22:58:10 2021, MaxMem= 17179869184 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8667 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          28
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.29D-13 8.33D-09 XBig12= 1.00D+00 1.23D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.29D-13 8.33D-09 XBig12= 1.28D-01 3.60D-02.
     11 vectors produced by pass  2 Test12= 2.29D-13 8.33D-09 XBig12= 1.99D-02 1.52D-02.
     11 vectors produced by pass  3 Test12= 2.29D-13 8.33D-09 XBig12= 1.85D-03 6.80D-03.
     11 vectors produced by pass  4 Test12= 2.29D-13 8.33D-09 XBig12= 1.38D-04 1.95D-03.
     11 vectors produced by pass  5 Test12= 2.29D-13 8.33D-09 XBig12= 1.21D-05 4.87D-04.
     11 vectors produced by pass  6 Test12= 2.29D-13 8.33D-09 XBig12= 4.45D-07 1.10D-04.
     11 vectors produced by pass  7 Test12= 2.29D-13 8.33D-09 XBig12= 1.33D-08 1.89D-05.
     11 vectors produced by pass  8 Test12= 2.29D-13 8.33D-09 XBig12= 2.97D-10 2.06D-06.
     10 vectors produced by pass  9 Test12= 2.29D-13 8.33D-09 XBig12= 5.33D-12 2.06D-07.
      5 vectors produced by pass 10 Test12= 2.29D-13 8.33D-09 XBig12= 9.38D-14 3.13D-08.
      1 vectors produced by pass 11 Test12= 2.29D-13 8.33D-09 XBig12= 1.80D-14 1.30D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.127375D+03
      2 -0.695847D-02  0.113911D+03
      3  0.649135D+00 -0.491883D-01  0.109738D+03
 Isotropic polarizability for W=    0.093368      117.01 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.472561D+01 -0.210685D+02  0.113007D+02
      2  -0.652992D+01  0.102155D+02 -0.384617D+01
      3   0.112555D+02  0.108530D+02 -0.745454D+01
      4  -0.290827D+02 -0.100065D+02  0.270796D+01
      5   0.180267D+02  0.169879D+01  0.169487D+02
      6   0.595937D+00  0.394101D+01 -0.434790D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.245410D+01  0.945348D+00  0.288857D+01
      2   0.299586D+01 -0.705834D+00  0.656476D+01
      3   0.416628D+01  0.278335D+01 -0.175023D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.100917D+01  0.778718D+01  0.152009D+02
      2  -0.672598D+01  0.211202D+01  0.569314D+01
      3  -0.801415D+01  0.347654D+01 -0.110285D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.148032D+01 -0.852651D+00 -0.865366D+00
      2  -0.852651D+00  0.879944D+00 -0.119082D+01
      3  -0.865366D+00 -0.119082D+01  0.598423D+00
 OR G Eigenvalues:    -2.2869     0.3453     1.9397  Iso=     0.0007
 Eigenvectors:
   (1)   0.832986   0.376670   0.405283
   (2)  -0.552847   0.537170   0.637031
   (3)  -0.022245   0.754697  -0.655696
 w=    0.093368 a.u., Optical Rotation Beta=      0.0007 au.
 Molar Mass =    138.2522 grams/mole, [Alpha] ( 4880.0 A) =        0.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   77028 ScalPx= 3.25D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   77028 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.37D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.82D-14 2.78D-09 XBig12= 1.00D+00 2.89D-01.
     30 vectors produced by pass  1 Test12= 3.82D-14 2.78D-09 XBig12= 2.06D-02 1.32D-02.
     30 vectors produced by pass  2 Test12= 3.82D-14 2.78D-09 XBig12= 2.56D-03 5.84D-03.
     30 vectors produced by pass  3 Test12= 3.82D-14 2.78D-09 XBig12= 4.35D-05 5.25D-04.
     30 vectors produced by pass  4 Test12= 3.82D-14 2.78D-09 XBig12= 7.26D-07 7.46D-05.
     30 vectors produced by pass  5 Test12= 3.82D-14 2.78D-09 XBig12= 6.91D-09 7.10D-06.
     30 vectors produced by pass  6 Test12= 3.82D-14 2.78D-09 XBig12= 6.59D-11 6.19D-07.
     30 vectors produced by pass  7 Test12= 3.82D-14 2.78D-09 XBig12= 5.14D-13 5.51D-08.
     10 vectors produced by pass  8 Test12= 3.82D-14 2.78D-09 XBig12= 5.47D-15 7.86D-09.
      2 vectors produced by pass  9 Test12= 3.82D-14 2.78D-09 XBig12= 1.72D-15 3.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   77028 ScalPx= 5.69D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   77028 ScalPx= 5.69D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   77028 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.90D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.127375D+03 -0.695847D-02  0.649135D+00
      2  -0.695847D-02  0.113911D+03 -0.491883D-01
      3   0.649135D+00 -0.491883D-01  0.109738D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.245410D+01  0.945348D+00  0.288857D+01
      2   0.299586D+01 -0.705834D+00  0.656476D+01
      3   0.416628D+01  0.278335D+01 -0.175023D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.472561D+01 -0.210685D+02  0.113007D+02
      2  -0.652992D+01  0.102155D+02 -0.384617D+01
      3   0.112555D+02  0.108530D+02 -0.745454D+01
      4  -0.290827D+02 -0.100065D+02  0.270796D+01
      5   0.180267D+02  0.169879D+01  0.169487D+02
      6   0.595937D+00  0.394101D+01 -0.434790D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.859199D+00 -0.284446D+01  0.120112D+01 -0.321789D+01  0.481281D-01
      2  -0.284446D+01 -0.669551D+00  0.121575D+01  0.481281D-01  0.320883D+01
      3   0.120112D+01  0.121575D+01  0.277783D+01  0.172450D+01 -0.129530D+01
                 6             7             8             9            10 
      1   0.172450D+01  0.927211D+00  0.204048D+01  0.426003D+01 -0.875728D-01
      2  -0.129530D+01  0.204048D+01 -0.206998D+01 -0.214253D+01  0.374611D+01
      3  -0.152646D+01  0.426003D+01 -0.214253D+01 -0.287744D+00  0.160393D+01
                11            12            13            14            15 
      1   0.374611D+01  0.160393D+01  0.461972D+01  0.810659D+00  0.148070D+00
      2   0.149356D+01 -0.194142D+00  0.810659D+00 -0.528659D+01  0.588932D+00
      3  -0.194142D+00 -0.207764D+01  0.148070D+00  0.588932D+00  0.113233D+01
                16            17            18            19            20 
      1   0.283306D+01  0.442516D-01 -0.237944D+01  0.924266D+00  0.178042D+01
      2   0.442516D-01  0.179572D+01  0.128145D+01  0.178042D+01  0.592313D+00
      3  -0.237944D+01  0.128145D+01 -0.604367D+01 -0.743460D+00 -0.332639D+01
                21            22            23            24            25 
      1  -0.743460D+00  0.238801D+01  0.502944D+00 -0.321397D+01 -0.578269D+00
      2  -0.332639D+01  0.502944D+00 -0.372125D+01  0.147948D+01 -0.390049D+01
      3  -0.704870D+00 -0.321397D+01  0.147948D+01 -0.237567D+01 -0.844462D+00
                26            27            28            29            30 
      1  -0.390049D+01 -0.844462D+00 -0.266512D+01 -0.244166D+01  0.800877D+00
      2   0.208250D+01 -0.396304D+01 -0.244166D+01 -0.191324D+01  0.467938D+01
      3  -0.396304D+01 -0.406260D+00  0.800877D+00  0.467938D+01 -0.132099D+01
                31            32            33            34            35 
      1  -0.264529D+01 -0.171540D+01  0.482683D+01  0.767002D+00  0.548666D+01
      2  -0.171540D+01  0.155688D+01  0.619736D+00  0.548666D+01 -0.817846D+00
      3   0.482683D+01  0.619736D+00  0.291103D+01 -0.162831D+01  0.223747D+01
                36            37            38            39            40 
      1  -0.162831D+01  0.483610D+01  0.501543D+01  0.330450D+01  0.591809D+01
      2   0.223747D+01  0.501543D+01  0.163660D+01 -0.170893D+01  0.253228D+01
      3  -0.900099D+00  0.330450D+01 -0.170893D+01  0.634904D+00 -0.235653D+01
                41            42            43            44            45 
      1   0.253228D+01 -0.235653D+01  0.458874D+01 -0.210815D+01  0.146930D+00
      2  -0.316661D+01  0.304826D+01 -0.210815D+01  0.451910D+01 -0.284429D+01
      3   0.304826D+01 -0.262213D+01  0.146930D+00 -0.284429D+01 -0.235785D+01
                46            47            48            49            50 
      1  -0.384938D+01 -0.331593D+01 -0.291104D+01 -0.400022D+01 -0.222226D+00
      2  -0.331593D+01 -0.389471D+00 -0.200944D+00 -0.222226D+00  0.883576D+01
      3  -0.291104D+01 -0.200944D+00 -0.135519D+01 -0.175674D+00 -0.896818D+00
                51            52            53            54            55 
      1  -0.175674D+00 -0.568435D+01 -0.487528D+00 -0.144963D+00  0.155663D+01
      2  -0.896818D+00 -0.487528D+00 -0.764010D+00 -0.202367D+01 -0.292453D+00
      3  -0.281346D+01 -0.144963D+00 -0.202367D+01  0.389511D+01  0.345157D+01
                56            57            58            59            60 
      1  -0.292453D+00  0.345157D+01 -0.538023D+00 -0.189940D+01 -0.333238D+01
      2  -0.184641D+01 -0.350530D+01 -0.189940D+01 -0.156044D+01 -0.176859D+01
      3  -0.350530D+01  0.693681D+00 -0.333238D+01 -0.176859D+01  0.248152D+01
                61            62            63            64            65 
      1   0.268741D+01 -0.261864D+01  0.582602D+00 -0.288975D+01  0.173104D+01
      2  -0.261864D+01 -0.159272D+01  0.206911D+01  0.173104D+01 -0.126321D+01
      3   0.582602D+00  0.206911D+01 -0.720288D+00  0.172144D+01 -0.105515D+01
                66            67            68            69            70 
      1   0.172144D+01  0.179999D+01 -0.163107D+01 -0.122366D+01  0.304536D+01
      2  -0.105515D+01 -0.163107D+01  0.231790D+01  0.188974D+01 -0.180819D+01
      3  -0.185643D+01 -0.122366D+01  0.188974D+01  0.169158D+01 -0.307249D+01
                71            72            73            74            75 
      1  -0.180819D+01 -0.307249D+01  0.151345D+01 -0.405179D+01 -0.285442D+01
      2   0.267299D+01  0.240037D+01 -0.405179D+01 -0.200900D+01  0.649429D+00
      3   0.240037D+01  0.416129D+01 -0.285442D+01  0.649429D+00  0.233537D+01
                76            77            78            79            80 
      1  -0.558433D+01 -0.522051D+00  0.506797D+00 -0.379246D+01  0.196428D+00
      2  -0.522051D+00  0.636157D+01 -0.209383D+01  0.196428D+00 -0.236856D+01
      3   0.506797D+00 -0.209383D+01 -0.608811D+00  0.311421D+01 -0.469327D-01
                81            82            83            84            85 
      1   0.311421D+01  0.674817D+00 -0.604464D+00  0.106939D+01 -0.902438D+00
      2  -0.469327D-01 -0.604464D+00 -0.160739D+00 -0.799907D-02 -0.243795D+00
      3   0.488691D+01  0.106939D+01 -0.799907D-02  0.683286D+00  0.135142D+00
                86            87            88            89            90 
      1  -0.243795D+00  0.135142D+00  0.198943D+01  0.279802D+00  0.433836D+00
      2  -0.367178D+00  0.111222D+01  0.279802D+00  0.117585D+01 -0.123136D+01
      3   0.111222D+01 -0.110408D+01  0.433836D+00 -0.123136D+01  0.771454D+01
                91            92            93            94            95 
      1   0.581959D+01  0.308011D+01 -0.250538D+01  0.249639D+01  0.223888D+01
      2   0.308011D+01  0.291812D+01 -0.193445D+01  0.223888D+01  0.350477D+01
      3  -0.250538D+01 -0.193445D+01  0.223695D+01 -0.164296D+01 -0.162131D+01
                96            97            98            99           100 
      1  -0.164296D+01 -0.199764D+01 -0.166879D+01  0.218152D+01 -0.173000D+01
      2  -0.162131D+01 -0.166879D+01 -0.146961D+01  0.158071D+01 -0.468078D+01
      3   0.126459D+01  0.218152D+01  0.158071D+01 -0.247031D+01 -0.319794D+01
               101           102           103           104           105 
      1  -0.468078D+01 -0.319794D+01 -0.509680D+01 -0.183828D+01  0.122075D+01
      2  -0.119212D+01  0.952191D+00 -0.183828D+01  0.130145D+01 -0.409884D+01
      3   0.952191D+00  0.561684D+00  0.122075D+01 -0.409884D+01  0.300603D+01
               106           107           108           109           110 
      1  -0.267833D+01  0.144624D+01  0.584722D+00 -0.220519D+01 -0.470143D+01
      2   0.144624D+01 -0.322776D+01  0.271147D+01 -0.470143D+01 -0.845577D+00
      3   0.584722D+00  0.271147D+01  0.183812D+01 -0.220025D+01  0.131687D+01
               111           112           113           114           115 
      1  -0.220025D+01 -0.572719D+01 -0.252425D+01  0.163897D+01 -0.245296D+01
      2   0.131687D+01 -0.252425D+01  0.325534D+01 -0.272035D+01  0.145676D+01
      3   0.454541D+00  0.163897D+01 -0.272035D+01  0.272900D+01 -0.467835D+00
               116           117           118           119           120 
      1   0.145676D+01 -0.467835D+00  0.120028D+00 -0.104412D+01  0.476776D+00
      2  -0.322655D+01  0.335499D+01 -0.104412D+01  0.562074D+00 -0.111621D+00
      3   0.335499D+01  0.425490D+01  0.476776D+00 -0.111621D+00  0.121584D+00
               121           122           123           124           125 
      1  -0.159019D+01 -0.308810D+00  0.128743D+00  0.810596D+00  0.975170D-01
      2  -0.308810D+00 -0.107453D+02  0.143482D+00  0.975170D-01  0.345539D+00
      3   0.128743D+00  0.143482D+00 -0.877207D+00 -0.964507D-01 -0.108742D+01
               126           127           128           129           130 
      1  -0.964507D-01  0.184065D+01 -0.963005D+00 -0.213425D+01 -0.107583D+01
      2  -0.108742D+01 -0.963005D+00  0.126404D+01  0.130226D+01  0.102410D+01
      3  -0.937840D-01 -0.213425D+01  0.130226D+01  0.273451D+01  0.119870D+01
               131           132           133           134           135 
      1   0.102410D+01  0.119870D+01 -0.189530D+01  0.963628D+00  0.195357D+01
      2  -0.169714D+01 -0.168943D+01  0.963628D+00 -0.153929D+01 -0.223153D+01
      3  -0.168943D+01 -0.279938D+01  0.195357D+01 -0.223153D+01 -0.584944D+01
               136           137           138           139           140 
      1  -0.483732D+01  0.382210D+00 -0.316788D+01  0.908777D+00 -0.666257D+00
      2   0.382210D+00 -0.810010D+00  0.665003D+00 -0.666257D+00  0.672723D+00
      3  -0.316788D+01  0.665003D+00 -0.379035D+01  0.101184D+01 -0.724181D+00
               141           142           143           144           145 
      1   0.101184D+01 -0.227668D+01  0.499890D+00 -0.230803D+01 -0.378490D+01
      2  -0.724181D+00  0.499890D+00 -0.487502D+00  0.132089D+00  0.170454D+01
      3   0.901911D+00 -0.230803D+01  0.132089D+00 -0.399163D+01  0.108321D+01
               146           147           148           149           150 
      1   0.170454D+01  0.108321D+01  0.202842D+01 -0.833004D+00 -0.769415D+00
      2  -0.123186D+01 -0.104014D+01 -0.833004D+00  0.140689D+01  0.165194D+01
      3  -0.104014D+01 -0.251316D+01 -0.769415D+00  0.165194D+01  0.128228D+01
               151           152           153           154           155 
      1   0.125863D+01 -0.842888D+00 -0.126559D+01  0.636283D+01  0.292387D+01
      2  -0.842888D+00  0.144558D+01  0.736184D+00  0.292387D+01  0.229258D+01
      3  -0.126559D+01  0.736184D+00  0.225794D+01  0.263127D+01  0.105572D+01
               156           157           158           159           160 
      1   0.263127D+01  0.357073D+01  0.243959D+01  0.128521D+01  0.809193D+00
      2   0.105572D+01  0.243959D+01  0.242760D+01  0.159724D+01  0.288050D+00
      3   0.232162D+01  0.128521D+01  0.159724D+01  0.125189D+01  0.111915D+01
               161           162           163           164           165 
      1   0.288050D+00  0.111915D+01  0.100971D+01 -0.352134D+00  0.128758D+01
      2   0.605641D+00  0.498470D+00 -0.352134D+00  0.599085D+00 -0.430393D+00
      3   0.498470D+00  0.859543D+00  0.128758D+01 -0.430393D+00  0.778119D+00
               166           167           168           169           170 
      1  -0.117273D+01  0.129157D+01 -0.138169D+01  0.116964D+01 -0.712276D+00
      2   0.129157D+01 -0.400861D+01  0.324792D+01 -0.712276D+00  0.211882D+01
      3  -0.138169D+01  0.324792D+01 -0.459585D+01  0.111931D+01 -0.251585D+01
               171           172           173           174           175 
      1   0.111931D+01  0.577349D+00  0.159069D+00 -0.530236D+00 -0.100156D+00
      2  -0.251585D+01  0.159069D+00  0.747887D-01  0.600197D-01  0.756433D+00
      3   0.446847D+01 -0.530236D+00  0.600197D-01  0.393526D+00  0.238771D+00
               176           177           178           179           180 
      1   0.756433D+00  0.238771D+00 -0.196031D+01  0.776812D+00  0.142927D+01
      2  -0.154838D+01 -0.105628D+01  0.776812D+00 -0.155135D+01 -0.221750D+01
      3  -0.105628D+01 -0.184585D+01  0.142927D+01 -0.221750D+01 -0.626076D+01
               181           182           183           184           185 
      1   0.154542D+01 -0.829779D+00  0.734851D+00 -0.215366D+01  0.300280D+01
      2  -0.829779D+00  0.855348D+00 -0.467449D+00  0.300280D+01 -0.643440D+01
      3   0.734851D+00 -0.467449D+00  0.270005D+00 -0.955252D+00  0.223540D+01
               186           187           188           189           190 
      1  -0.955252D+00  0.214114D+01 -0.162107D+01  0.107904D+01  0.895567D+01
      2   0.223540D+01 -0.162107D+01  0.322848D+01 -0.209446D+01  0.197207D+01
      3  -0.199090D+01  0.107904D+01 -0.209446D+01  0.166274D+01  0.295472D+00
               191           192           193           194           195 
      1   0.197207D+01  0.295472D+00  0.522928D+01  0.204189D+01 -0.113541D+00
      2   0.159100D+01  0.303772D-01  0.204189D+01  0.142635D+01  0.343147D+00
      3   0.303772D-01  0.855620D+00 -0.113541D+00  0.343147D+00  0.542883D+00
               196           197           198           199           200 
      1   0.964017D+00 -0.661789D-01  0.109517D+01 -0.445909D+01  0.101174D+01
      2  -0.661789D-01  0.505058D+00  0.118122D-01  0.101174D+01 -0.116878D+01
      3   0.109517D+01  0.118122D-01 -0.870170D-01 -0.211591D+01  0.390800D+00
               201           202           203           204           205 
      1  -0.211591D+01  0.594199D+00 -0.770539D+00  0.119316D+00 -0.354436D+01
      2   0.390800D+00 -0.770539D+00  0.819425D-01 -0.452969D+00  0.353441D+00
      3  -0.172742D+01  0.119316D+00 -0.452969D+00  0.352211D+00 -0.213357D+01
               206           207           208           209           210 
      1   0.353441D+00 -0.213357D+01 -0.123884D+01  0.130799D+01 -0.675229D+00
      2  -0.135403D+01  0.875268D+00  0.130799D+01 -0.176429D+01  0.104821D+01
      3   0.875268D+00 -0.249490D+01 -0.675229D+00  0.104821D+01 -0.435060D+00
               211           212           213           214           215 
      1   0.100007D+01 -0.134107D+01  0.749963D+00 -0.114558D+01  0.130376D+01
      2  -0.134107D+01  0.759924D+01 -0.304728D+01  0.130376D+01 -0.489492D+01
      3   0.749963D+00 -0.304728D+01  0.215826D+01 -0.517858D+00  0.344275D+01
               216           217           218           219           220 
      1  -0.517858D+00  0.164310D+01  0.961599D+00  0.112626D+01  0.825287D+00
      2   0.344275D+01  0.961599D+00  0.187643D+01  0.123630D+01  0.100954D+01
      3  -0.298021D+01  0.112626D+01  0.123630D+01  0.120579D+01  0.890942D+00
               221           222           223           224           225 
      1   0.100954D+01  0.890942D+00  0.154271D+01  0.119329D+01  0.116814D+01
      2   0.434446D+01  0.171890D+01  0.119329D+01  0.307441D+01  0.281518D+01
      3   0.171890D+01  0.191131D+01  0.116814D+01  0.281518D+01  0.323849D+01
               226           227           228           229           230 
      1  -0.136729D+01  0.186328D+00 -0.932279D+00  0.812891D+00 -0.244310D+00
      2   0.186328D+00 -0.541545D-01 -0.212861D+00 -0.244310D+00 -0.631556D+00
      3  -0.932279D+00 -0.212861D+00 -0.133184D+01 -0.814398D-01 -0.546472D+00
               231           232           233           234           235 
      1  -0.814398D-01 -0.284355D+01 -0.936128D+00 -0.225961D+01 -0.896083D+01
      2  -0.546472D+00 -0.936128D+00 -0.142302D+01 -0.643192D+00  0.612148D+00
      3   0.815724D-01 -0.225961D+01 -0.643192D+00 -0.622717D+01  0.277212D+01
               236           237           238           239           240 
      1   0.612148D+00  0.277212D+01  0.335023D+01 -0.963477D+00 -0.848527D+00
      2  -0.105289D+01 -0.312838D+00 -0.963477D+00  0.307657D+00  0.684535D+00
      3  -0.312838D+00 -0.188352D+01 -0.848527D+00  0.684535D+00  0.798841D+00
               241           242           243           244           245 
      1   0.424244D+01 -0.912002D-01 -0.250462D+01 -0.163513D+00 -0.452654D+00
      2  -0.912002D-01  0.110468D+01  0.212063D+00 -0.452654D+00  0.615358D+00
      3  -0.250462D+01  0.212063D+00  0.145865D+01  0.407905D+00 -0.936927D-01
               246           247           248           249           250 
      1   0.407905D+00 -0.173734D+01 -0.197489D+01  0.270488D+00  0.107322D+01
      2  -0.936927D-01 -0.197489D+01 -0.944194D+01  0.165073D+01  0.434524D+00
      3  -0.625475D-01  0.270488D+00  0.165073D+01 -0.133744D+01 -0.644290D+00
               251           252 
      1   0.434524D+00 -0.644290D+00
      2   0.211277D+01 -0.131759D+01
      3  -0.131759D+01  0.474440D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.479995D+01 -0.334144D+01 -0.332500D+01 -0.374444D+01  0.653183D+01
      2  -0.350437D+01 -0.211193D+01 -0.620300D+01 -0.262606D+01  0.302738D+01
      3  -0.825469D+01 -0.100761D+02  0.608736D+01 -0.348357D+01  0.694494D+01
                 6             7             8             9            10 
      1   0.824646D+00 -0.434759D+01  0.555947D+01 -0.501669D+00  0.453735D+01
      2   0.378926D+01 -0.143277D+02  0.474259D+01 -0.172878D+00 -0.388068D+01
      3  -0.101348D+00  0.753506D+01 -0.598189D+00  0.708477D+00  0.837048D+01
                11            12            13            14            15 
      1   0.238614D+01 -0.145776D+01  0.194163D+01 -0.384279D+01 -0.907069D+00
      2  -0.139348D+01  0.445019D+01 -0.172743D+01 -0.261616D+01 -0.177797D+01
      3  -0.422510D+01 -0.247310D+01  0.310242D+01 -0.112942D+02  0.148093D+01
                16            17            18            19            20 
      1  -0.522497D+00  0.627366D+01 -0.440182D+01  0.200391D+01  0.103390D+02
      2   0.585668D-01 -0.234687D+01  0.139368D+02 -0.207496D+01  0.135678D+01
      3  -0.268205D+01  0.320039D+01  0.206672D+01  0.341055D+01  0.469085D+01
                21            22            23            24            25 
      1   0.275580D+01  0.994936D+01 -0.316608D+01  0.514023D+01  0.430884D+01
      2   0.196326D+01  0.157239D+01  0.156832D-01 -0.547112D+00 -0.220048D+01
      3  -0.252214D+01  0.111582D+02  0.102705D+00 -0.817243D+01 -0.295372D+01
                26            27            28            29            30 
      1   0.133527D+02  0.359516D+01  0.101537D+01 -0.763428D+01 -0.508090D+01
      2  -0.143962D+01  0.143618D+01 -0.286733D+00  0.389074D+01  0.170442D+01
      3  -0.921845D+01 -0.272368D+01  0.211964D+01 -0.551831D+01 -0.205580D+01
                31            32            33            34            35 
      1  -0.724025D+01 -0.275987D+01 -0.764703D+01 -0.387011D+01 -0.818481D+00
      2   0.355742D+01  0.286810D+00  0.839130D+01 -0.492516D+01  0.101423D+02
      3   0.831956D+00 -0.381617D+01  0.617067D+01 -0.443844D+01  0.776006D+01
                36            37            38            39            40 
      1  -0.278589D+01  0.451678D+01  0.349720D+00 -0.995687D-01  0.193258D+01
      2  -0.184969D+01  0.503641D+01 -0.444281D+01  0.368282D+01 -0.613304D+01
      3  -0.363122D+01 -0.118319D+02 -0.104089D+02  0.165798D+01 -0.264203D+01
                41            42            43            44            45 
      1   0.730607D+00 -0.410325D+01 -0.935045D+00  0.459257D+01 -0.356989D+01
      2   0.664943D+01 -0.644654D+01 -0.670855D+01 -0.659310D+01 -0.633310D+01
      3   0.385837D+01 -0.519737D+01  0.117132D+01 -0.848498D+01  0.669562D+01
                46            47            48            49            50 
      1  -0.591114D+01 -0.653181D+00 -0.102847D+01  0.266427D+00 -0.152379D-02
      2  -0.178021D+01 -0.110595D+01  0.856312D+00 -0.138242D+00  0.296882D+00
      3   0.454065D+01  0.263702D+01  0.329383D+01  0.106530D+02  0.349422D+01
                51            52            53            54            55 
      1  -0.753192D+01 -0.278175D+01 -0.203111D+01  0.921952D+01  0.266186D+01
      2   0.219265D+01 -0.569705D+01 -0.166830D+00 -0.243653D+01  0.473260D+01
      3   0.518459D+00  0.651566D+01  0.196001D+00 -0.758993D+00 -0.444419D+00
                56            57            58            59            60 
      1   0.589055D+01  0.984547D+01  0.256946D+01  0.303430D+01  0.526614D+01
      2  -0.240422D+01  0.128693D+02 -0.226189D+01 -0.704576D+01 -0.103963D+02
      3  -0.156090D+01 -0.224162D+01  0.280890D+01  0.122631D+01  0.156984D+01
                61            62            63            64            65 
      1   0.867705D+01  0.849545D+01 -0.753613D+01 -0.170310D+01  0.284039D+00
      2   0.504015D+01 -0.753145D+01  0.543617D+00 -0.182146D+01  0.158142D+01
      3  -0.125285D+01  0.148943D+01  0.164011D+00 -0.117989D+01 -0.183890D+01
                66            67            68            69            70 
      1   0.293997D+01  0.143876D+01 -0.106049D+01 -0.309441D+01  0.374545D+01
      2   0.477996D+01  0.118616D+01 -0.342553D+01 -0.381266D+01  0.280341D+01
      3   0.195624D+00  0.179938D+01  0.258344D+01  0.139654D+01  0.186114D+01
                71            72            73            74            75 
      1   0.270280D+00 -0.599086D+01 -0.588909D+01 -0.558501D+00  0.360138D+01
      2  -0.403901D+01 -0.825541D+01  0.103027D+02 -0.131894D-01 -0.520541D+01
      3   0.438014D+01  0.150496D+00 -0.166026D+02 -0.165605D+01  0.619338D+01
                76            77            78            79            80 
      1  -0.119383D+00 -0.290981D+01 -0.230244D+01  0.532360D+01  0.157536D+01
      2  -0.102504D+00  0.698860D+01  0.131807D+01 -0.124146D+02 -0.122270D+01
      3   0.960671D+01  0.227461D+02 -0.808234D+01  0.609544D+01 -0.754330D+01
                81            82            83            84            85 
      1   0.741896D+01  0.273548D+00 -0.281246D+00  0.709903D+00 -0.233440D+00
      2  -0.169181D+02 -0.365580D+01  0.200128D+00 -0.184284D+01  0.565621D+00
      3  -0.445337D+01 -0.198137D+01 -0.269749D+00 -0.360627D+00  0.230703D+01
                86            87            88            89            90 
      1   0.360997D+00 -0.681094D+00  0.881941D+00  0.304526D+01  0.444911D+01
      2  -0.151631D+01  0.133664D+01 -0.678191D+01  0.140345D+01 -0.139740D+02
      3   0.463817D+00  0.193880D+01 -0.134999D+01  0.201417D+01 -0.142741D+01
                91            92            93            94            95 
      1  -0.392393D+00 -0.176722D+01 -0.200828D+01 -0.452672D+00 -0.265997D+01
      2   0.425693D+01  0.916329D+00  0.254299D+01  0.182365D+01  0.703244D+00
      3   0.548516D+01 -0.250498D+01 -0.851340D+00  0.322341D+01 -0.176279D+01
                96            97            98            99           100 
      1  -0.175558D+01 -0.937496D+00  0.178259D+01  0.248768D+01 -0.975020D+01
      2   0.915183D+00 -0.174314D+01 -0.416369D+00 -0.148029D+01 -0.219288D+01
      3  -0.406802D+00 -0.193341D+01  0.251492D+00  0.116345D+01  0.857370D+01
               101           102           103           104           105 
      1  -0.215077D+01  0.182349D+01 -0.510041D+01  0.268576D+01 -0.131549D+02
      2   0.117953D+02  0.117480D+02  0.136203D+02 -0.433901D+01  0.334052D+01
      3  -0.438876D+00 -0.268886D+01  0.461090D+01 -0.252284D+01  0.810794D+01
               106           107           108           109           110 
      1   0.367392D+01 -0.599487D+01  0.614751D+01 -0.923964D+00  0.168949D+01
      2   0.574286D+01  0.187060D+01  0.159854D+01 -0.692784D+01  0.264600D+01
      3  -0.349248D+01  0.637609D+01 -0.488634D+01  0.182646D+02  0.799494D+01
               111           112           113           114           115 
      1  -0.258319D+00  0.256036D+01 -0.430661D+01  0.290046D+01 -0.226136D+01
      2   0.174756D+01  0.237401D+01 -0.877276D+01  0.102919D+02 -0.613976D+01
      3  -0.179786D+01  0.169069D+02 -0.875140D+01  0.642074D+01 -0.165412D+01
               116           117           118           119           120 
      1   0.756352D+01  0.545422D+01  0.115568D+01 -0.135483D+00 -0.355902D-01
      2   0.121952D+02  0.154111D+02 -0.413011D+00 -0.159631D+00  0.104180D+01
      3   0.704722D+01 -0.103188D+02 -0.175761D+00 -0.367279D+00 -0.549490D+00
               121           122           123           124           125 
      1   0.352386D+00  0.254447D+01 -0.571166D+01  0.184036D+00 -0.288915D+00
      2  -0.571960D-01 -0.634690D+00  0.333989D+00 -0.142432D+01  0.161738D+00
      3   0.727113D+01 -0.135953D+01 -0.145272D+00 -0.138043D+01 -0.222712D+00
               126           127           128           129           130 
      1  -0.949926D-02  0.167462D+01 -0.412087D+01 -0.203606D+01 -0.246211D+01
      2   0.166170D-01  0.601264D+01 -0.245119D+01 -0.342254D+01 -0.364102D+01
      3  -0.225532D-01 -0.121925D+01 -0.673642D+00  0.916478D+00  0.231220D+01
               131           132           133           134           135 
      1   0.402710D+01  0.848979D+00 -0.208434D+01  0.446775D+01  0.251303D+01
      2   0.242922D+01  0.249529D+01 -0.713897D+01  0.250079D+01  0.231502D+01
      3  -0.108341D+00 -0.238674D+00  0.161289D+01  0.588103D+00 -0.497547D+00
               136           137           138           139           140 
      1  -0.179962D+01  0.431314D+01 -0.257069D+01  0.187654D+01 -0.241192D+01
      2  -0.148505D+02  0.102633D+01 -0.437144D+01  0.294163D+01 -0.151089D+01
      3   0.119044D+01 -0.278815D+01  0.120859D+01  0.539639D+00  0.628327D+00
               141           142           143           144           145 
      1   0.469561D-01 -0.169580D+01  0.281488D+01 -0.935957D+00  0.410622D+01
      2   0.204225D+01 -0.702388D+01  0.971773D+00 -0.390585D+01  0.142710D+02
      3  -0.311613D+00  0.316204D+00 -0.179403D+01  0.877285D+00 -0.543423D+01
               146           147           148           149           150 
      1  -0.416139D+01 -0.678281D+00 -0.278690D+01  0.372671D+01  0.173469D+01
      2  -0.590372D+01 -0.435235D+01 -0.715140D+01  0.470323D+01  0.301526D+01
      3   0.148371D+01  0.170185D+01  0.397719D+01 -0.214847D+01 -0.252883D+01
               151           152           153           154           155 
      1  -0.173713D+01  0.425015D+01  0.317006D+00  0.600568D+01  0.560318D+01
      2  -0.695816D+01  0.338728D+01  0.498577D+01 -0.865514D+01 -0.399128D+01
      3   0.233427D+01 -0.163816D+01 -0.147745D+01 -0.244121D+01 -0.568571D+01
               156           157           158           159           160 
      1   0.585671D+00  0.461037D+01  0.518285D+01  0.122303D+01  0.594077D+00
      2   0.185447D+01 -0.596398D+01 -0.188228D+01  0.829519D+00 -0.161592D+01
      3  -0.156751D+01 -0.134648D+01 -0.479641D+01 -0.231498D+01 -0.249542D-01
               161           162           163           164           165 
      1   0.220686D+01  0.779126D+00 -0.635834D+00  0.178238D+01 -0.801369D+00
      2  -0.378036D+00 -0.716104D+00  0.535077D+00 -0.225546D+00  0.733612D-01
      3  -0.114236D+01 -0.410475D+00  0.497878D+00 -0.179988D+01  0.927147D+00
               166           167           168           169           170 
      1   0.275953D+01 -0.105107D+02  0.472031D+01 -0.191425D+01  0.747417D+01
      2   0.154098D+01  0.336674D+01 -0.617185D+01 -0.262269D+01 -0.261367D+01
      3  -0.247956D-01  0.711846D+01 -0.545345D+01  0.456505D+00 -0.419310D+01
               171           172           173           174           175 
      1  -0.539544D+01 -0.919974D+00 -0.710564D-01  0.141507D+00 -0.204160D+00
      2   0.548267D+01 -0.113815D+01  0.513939D+00  0.110308D+01 -0.209775D-01
      3   0.439450D+01 -0.697665D+00 -0.100614D+01  0.403469D+00 -0.550204D+00
               176           177           178           179           180 
      1   0.229369D+00 -0.304154D+01  0.528640D+00  0.521831D+00 -0.801167D+01
      2  -0.243615D+01 -0.584276D+01 -0.885484D+00 -0.590867D+01 -0.196629D+02
      3   0.329426D+01  0.271046D+01  0.117619D+01  0.427170D+01  0.551447D+01
               181           182           183           184           185 
      1   0.115176D+01 -0.875152D+00  0.863325D+00 -0.173230D+01  0.352279D+01
      2   0.238422D+01 -0.175568D+01  0.213273D+01 -0.233984D+01  0.742115D+01
      3   0.974923D+00 -0.343775D+01  0.609228D+00 -0.359905D+01  0.163504D+02
               186           187           188           189           190 
      1  -0.593402D+01  0.115554D+01 -0.184008D+01  0.374390D+01 -0.329528D+00
      2  -0.730490D+01  0.163653D+01 -0.597697D+01  0.526053D+01  0.288680D+01
      3  -0.562487D+01  0.787755D+00 -0.830870D+01  0.510771D+01 -0.151862D+02
               191           192           193           194           195 
      1  -0.390531D+00  0.269654D+00 -0.520990D+00 -0.126695D+00 -0.101084D+01
      2   0.100931D+01  0.574936D+01  0.966801D+00  0.170770D+01  0.289567D+01
      3  -0.101956D+02 -0.495144D+00 -0.911154D+01 -0.788781D+01 -0.113675D+01
               196           197           198           199           200 
      1   0.874895D+00  0.407971D+00 -0.246901D+00  0.355678D+01  0.329843D+00
      2   0.190811D+01 -0.109558D+00  0.208862D-01  0.496191D+01 -0.100086D+01
      3  -0.439886D+00 -0.185541D+01 -0.903847D+00 -0.448044D+01 -0.341044D+01
               201           202           203           204           205 
      1   0.294925D+01 -0.155248D+00  0.497657D+00 -0.154953D+01  0.278512D+01
      2   0.650845D+01 -0.243842D+00  0.123783D+01 -0.823369D+00  0.359815D+01
      3  -0.233236D+01  0.581714D+00 -0.180592D+01 -0.609164D+00 -0.481160D+01
               206           207           208           209           210 
      1   0.737097D-01  0.464395D+01  0.105269D+01 -0.244675D+01  0.149241D+01
      2  -0.173128D+01  0.764423D+01 -0.773569D+00  0.255246D+00  0.115257D+01
      3  -0.374631D+01 -0.139496D+01 -0.335240D+01  0.869610D+00 -0.127347D+01
               211           212           213           214           215 
      1  -0.150589D+01  0.449444D+01 -0.721062D+01  0.200406D+00 -0.476788D+01
      2   0.109301D+01  0.173324D+00 -0.892802D+00 -0.197211D+01 -0.121750D+00
      3   0.457794D+01 -0.715028D+00  0.909490D+00 -0.420221D+01  0.129912D+01
               216           217           218           219           220 
      1   0.742589D+01 -0.331527D+01 -0.310558D+01 -0.436059D+01 -0.265134D+01
      2   0.706406D+00  0.626268D-01 -0.358702D+00  0.870561D+00 -0.104920D+01
      3   0.711706D-01  0.538252D+01  0.585383D+00  0.326405D+01  0.366215D+01
               221           222           223           224           225 
      1  -0.403238D+01 -0.688228D+01 -0.365040D+01 -0.580035D+01 -0.109387D+02
      2  -0.510126D+00  0.230974D+00 -0.208797D+01 -0.402004D+00 -0.751057D+00
      3   0.242955D+01  0.281320D+01  0.617204D+01  0.321970D+01  0.330636D+01
               226           227           228           229           230 
      1  -0.163597D+01  0.861091D-01 -0.206668D+01 -0.340755D+00 -0.803049D+00
      2   0.316903D+01  0.902240D+00  0.475314D+01  0.758464D+00  0.165925D+01
      3   0.218138D+01 -0.117285D+01  0.637281D+00 -0.353918D+00 -0.112111D+01
               231           232           233           234           235 
      1  -0.788519D+00 -0.267544D+01  0.204068D+01 -0.996833D+01  0.379899D+01
      2  -0.562751D+00  0.330756D+01  0.129309D+01  0.216318D+02 -0.492781D+01
      3  -0.126063D+01  0.127304D+01 -0.406814D+01  0.144942D+01  0.142566D+02
               236           237           238           239           240 
      1  -0.152551D+01 -0.236191D+01 -0.115994D+01  0.134351D+01  0.505221D+00
      2   0.971083D+00  0.800644D+01  0.113435D+01 -0.182883D+01 -0.303676D+01
      3  -0.720955D+01 -0.501248D+01 -0.567196D+01  0.298111D+01  0.318835D+01
               241           242           243           244           245 
      1  -0.282266D+01  0.208483D+01  0.150938D+01  0.494788D+00  0.165437D+00
      2   0.453060D+01 -0.827313D+00 -0.408970D+01 -0.140773D+01  0.229659D+00
      3  -0.579304D+01  0.483693D+01  0.385733D+01 -0.196371D+01  0.101388D+01
               246           247           248           249           250 
      1   0.191609D+00 -0.168371D+00 -0.296768D+00 -0.477976D+01 -0.700564D+00
      2   0.682570D+00  0.321813D+00 -0.414798D+01  0.419730D+01  0.339581D+00
      3  -0.850639D+00  0.555040D+00 -0.261322D+02  0.467930D+01 -0.898332D+00
               251           252 
      1  -0.342543D+00  0.564503D+00
      2   0.315659D+01 -0.764775D+00
      3   0.588329D+01 -0.262037D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.295084D+01  0.951097D+01 -0.113199D+02  0.713103D+01 -0.171955D+01
      2   0.179674D+01 -0.713242D+01  0.633336D+01 -0.535110D+01  0.486057D+01
      3   0.115411D+01 -0.237854D+01  0.498654D+01 -0.177993D+01 -0.314102D+01
      4   0.134956D+02 -0.474045D+01  0.192884D+00 -0.787351D+01 -0.105238D+02
      5  -0.318840D+01 -0.486028D+01 -0.139027D+02 -0.691689D+01  0.521001D+01
      6   0.320627D+00  0.690020D+01  0.804268D+01  0.722511D+01 -0.581104D+01
                 6             7             8             9            10 
      1  -0.332944D+00 -0.146271D+02 -0.171236D+01 -0.127544D+02 -0.288732D+01
      2  -0.104033D+01  0.975326D+01  0.244969D+01  0.666613D+01 -0.127000D+01
      3   0.137327D+01  0.487381D+01 -0.737330D+00  0.608831D+01  0.415733D+01
      4   0.797387D+01 -0.905544D+00  0.115242D+02  0.186511D+02 -0.205463D+02
      5   0.761940D+01 -0.211164D+02  0.128206D+02  0.352043D+01 -0.452678D+01
      6  -0.629174D+01  0.137362D+02 -0.739683D+01 -0.664128D+01 -0.759062D+00
                11            12            13            14            15 
      1  -0.122292D+02 -0.348549D+01 -0.161220D+02 -0.793728D+01 -0.215207D+01
      2   0.231202D+01  0.141946D+01  0.645750D+01  0.783339D+01  0.713653D+00
      3   0.991716D+01  0.206603D+01  0.966453D+01  0.103892D+00  0.143842D+01
      4  -0.120149D+02 -0.261671D+01 -0.117865D+02  0.123859D+02 -0.516088D+00
      5   0.188571D+01  0.445527D+01  0.117967D+01 -0.105518D+01 -0.313687D+01
      6  -0.216085D+01  0.526184D+00 -0.831186D+00 -0.904127D+00 -0.192302D+01
                16            17            18            19            20 
      1  -0.392681D+01 -0.420521D+01  0.194212D+02 -0.565493D+01 -0.480064D+01
      2   0.156316D+01 -0.255718D+01  0.208047D+01  0.560381D+01  0.189037D+00
      3   0.236365D+01  0.676240D+01 -0.215017D+02  0.511233D-01  0.461160D+01
      4  -0.518687D+01 -0.558875D+01 -0.152092D+01  0.460519D+00 -0.309777D+01
      5   0.122026D+02 -0.263397D+01  0.136386D+02 -0.261384D+01  0.816058D+00
      6   0.167908D+01  0.100026D+01  0.116159D+02 -0.292057D+01 -0.146074D+02
                21            22            23            24            25 
      1   0.109335D+02 -0.697915D+01  0.166967D+02 -0.510577D+01  0.154321D+02
      2  -0.161331D+02  0.370788D+01 -0.192648D+02  0.662961D+01 -0.185001D+02
      3   0.519963D+01  0.327127D+01  0.256805D+01 -0.152384D+01  0.306800D+01
      4  -0.186095D+01  0.233410D+01  0.401929D+01 -0.131155D+02 -0.365806D+01
      5  -0.186178D+01  0.112770D+01 -0.671501D+01  0.294242D+00  0.556005D+00
      6   0.104412D+01 -0.137816D+02  0.117100D+02 -0.158546D+02 -0.282973D+01
                26            27            28            29            30 
      1  -0.807474D+01  0.152368D+02 -0.445318D+01 -0.176373D+01 -0.210993D+01
      2   0.100077D+02 -0.204046D+02  0.323792D+01  0.108814D+02  0.888817D+01
      3  -0.193296D+01  0.516783D+01  0.121526D+01 -0.911767D+01 -0.677823D+01
      4  -0.146174D+02 -0.331288D+01 -0.127400D+02 -0.131474D+02  0.124568D+02
      5  -0.563953D+00 -0.368622D+01  0.981649D+01  0.109042D+02 -0.104124D+02
      6  -0.249873D+02  0.123083D+01  0.776220D+01  0.113427D+02 -0.124334D+02
                31            32            33            34            35 
      1   0.113312D+01 -0.619008D+01  0.746657D+01 -0.284885D+01  0.134000D+02
      2   0.512772D+01  0.112899D+02 -0.488902D+01  0.809472D+01 -0.629828D+01
      3  -0.626084D+01 -0.509986D+01 -0.257755D+01 -0.524587D+01 -0.710168D+01
      4  -0.131408D+02 -0.567411D+01  0.585213D+01  0.176969D+02  0.688776D+01
      5   0.809375D+01  0.204776D+01 -0.318966D+01 -0.892129D+01 -0.322492D+01
      6   0.765139D+01  0.166517D+01 -0.607417D+01 -0.918867D+01  0.174292D+00
                36            37            38            39            40 
      1  -0.588220D+01  0.410173D+01  0.154133D+02  0.136257D+02  0.179242D+02
      2   0.811792D+01 -0.996992D+01 -0.100377D+02 -0.610547D+01 -0.931543D+01
      3  -0.223572D+01  0.586818D+01 -0.537568D+01 -0.752024D+01 -0.860880D+01
      4  -0.927493D-01  0.148175D+02 -0.125284D+01 -0.993075D+01  0.121391D+01
      5  -0.991315D+00  0.145543D+02 -0.427706D+01  0.638873D+01 -0.300607D+01
      6  -0.939721D+00 -0.208196D+01  0.342236D+00  0.306333D+01  0.334994D+01
                41            42            43            44            45 
      1  -0.222619D+01 -0.186166D+01  0.152586D+02 -0.456528D+01  0.657408D+01
      2   0.423063D+00  0.598199D+01 -0.720597D+01  0.324094D+01 -0.178262D+00
      3   0.180313D+01 -0.412033D+01 -0.805268D+01  0.132434D+01 -0.639582D+01
      4  -0.431240D+01  0.949869D+01 -0.125390D+02  0.848914D+01 -0.110114D+02
      5   0.115044D+02 -0.705629D+01  0.342697D+01 -0.943335D+01 -0.616772D+01
      6  -0.550473D+00  0.612678D+01 -0.223210D+01 -0.545281D+00 -0.229207D+01
                46            47            48            49            50 
      1  -0.913068D+01 -0.141706D-02 -0.277860D+01  0.618176D+00  0.234171D+02
      2   0.592465D+01  0.448450D+01  0.410285D+01  0.108066D+01 -0.361902D+02
      3   0.320603D+01 -0.448308D+01 -0.132425D+01 -0.169883D+01  0.127730D+02
      4   0.356616D+01  0.305553D+01  0.307769D+01  0.389680D+01  0.140986D+01
      5  -0.522645D+01 -0.362563D+01 -0.356845D+01 -0.445864D+01 -0.700618D+01
      6   0.475615D+00  0.838526D+00 -0.434269D+01 -0.298970D+01 -0.317134D+01
                51            52            53            54            55 
      1  -0.701398D+01 -0.997977D+00 -0.191422D+01  0.571092D+00  0.504007D+01
      2  -0.832859D+00  0.380497D+01 -0.112965D+01  0.929118D+01  0.813645D+01
      3   0.784684D+01 -0.280699D+01  0.304387D+01 -0.986227D+01 -0.131765D+02
      4  -0.386681D+01  0.616146D+01  0.170851D+01  0.141480D+01  0.192049D+01
      5   0.110692D+01 -0.183758D+01  0.160249D+01 -0.149117D+01 -0.605246D+01
      6  -0.130253D+00  0.136364D+00  0.447198D+01 -0.177721D+01  0.102419D+01
                56            57            58            59            60 
      1  -0.709499D+01 -0.867702D+00 -0.664763D+01 -0.537324D+01  0.689696D+01
      2  -0.883311D+01  0.128181D+00 -0.792314D+01 -0.150855D+01  0.513694D+01
      3   0.159281D+02  0.739521D+00  0.145708D+02  0.688179D+01 -0.120339D+02
      4  -0.161350D+01 -0.188871D+01 -0.106099D+01  0.145659D+01  0.351576D+01
      5   0.148389D+01 -0.141678D+02  0.308618D+01  0.727408D+01  0.104336D+02
      6   0.453037D+01  0.160339D+02  0.766595D+01  0.148177D+01  0.263071D+01
                61            62            63            64            65 
      1  -0.322277D+01  0.904748D+00 -0.311473D+01  0.102303D+02 -0.437757D+01
      2  -0.144882D+01  0.808006D+01 -0.202408D+01 -0.537402D+01  0.629651D+00
      3   0.467159D+01 -0.898481D+01  0.513881D+01 -0.485625D+01  0.374792D+01
      4  -0.633292D+01 -0.354647D+00  0.429298D+01 -0.143500D+02  0.115373D+02
      5  -0.893733D+01  0.795442D+01  0.150980D+01 -0.117018D+02  0.644077D+01
      6   0.112751D+02 -0.932309D+00 -0.635777D+01  0.732726D+01 -0.618512D+01
                66            67            68            69            70 
      1  -0.378233D+01 -0.268688D+01 -0.350228D+01 -0.181843D+01 -0.625214D+01
      2   0.270335D+01 -0.105297D+01  0.801631D+01  0.275983D+01  0.503348D+01
      3   0.107897D+01  0.373985D+01 -0.451403D+01 -0.941396D+00  0.121866D+01
      4   0.828353D+01  0.133853D+02 -0.129639D+02 -0.105963D+02  0.137283D+02
      5   0.126334D+02  0.648944D+01 -0.876818D+01 -0.790860D+01  0.178099D+02
      6  -0.699462D+01 -0.721319D+01  0.105128D+02  0.104130D+02 -0.117773D+02
                71            72            73            74            75 
      1  -0.180982D+01  0.133473D+00 -0.190557D+02  0.190133D+02  0.194743D+02
      2   0.249930D+01 -0.617364D+01  0.215685D+02 -0.583042D+01 -0.119931D+02
      3  -0.689487D+00  0.604016D+01 -0.251281D+01 -0.131829D+02 -0.748119D+01
      4  -0.149585D+02 -0.153539D+02  0.243096D+02  0.162761D+02 -0.213306D-01
      5  -0.112950D+02 -0.199152D+02  0.226671D+02 -0.476646D+01 -0.157062D+02
      6   0.133314D+02  0.173348D+02  0.428531D+01 -0.592605D+00 -0.414384D+01
                76            77            78            79            80 
      1   0.316289D+02  0.224797D+02 -0.941824D+01  0.237066D+02 -0.595213D+01
      2  -0.180315D+02 -0.307271D+02  0.113007D+02 -0.114201D+02  0.105577D+02
      3  -0.135974D+02  0.824749D+01 -0.188243D+01 -0.122866D+02 -0.460562D+01
      4   0.113827D+02 -0.257907D+02  0.956121D+01  0.362714D+01  0.107183D+02
      5  -0.597725D+01  0.109981D+02  0.385409D+01 -0.224946D+02  0.144158D+00
      6   0.445970D+00  0.126562D+02 -0.775148D+00 -0.660977D+01 -0.168561D+01
                81            82            83            84            85 
      1  -0.171058D+02 -0.975443D+00  0.221594D+01 -0.231877D+01  0.200710D+01
      2   0.120410D+02 -0.321681D+01 -0.636549D+00  0.188384D+00 -0.808661D+00
      3   0.506477D+01  0.419226D+01 -0.157939D+01  0.213038D+01 -0.119843D+01
      4  -0.322892D+01  0.177634D+01  0.305302D+01 -0.862800D+00  0.427755D+01
      5  -0.268556D+02  0.250433D+00 -0.609575D+00  0.568982D+01 -0.639892D+00
      6  -0.132341D+02 -0.121832D+01  0.464749D+00 -0.558232D+00  0.382747D+00
                86            87            88            89            90 
      1  -0.346020D+01  0.298942D+01 -0.472017D+01  0.314629D+01 -0.199602D+02
      2   0.915682D+00 -0.739399D+00  0.922588D+00  0.133374D+01 -0.129157D+02
      3   0.254452D+01 -0.225003D+01  0.379758D+01 -0.448003D+01  0.328759D+02
      4   0.686888D+00 -0.239284D+01 -0.264545D+01 -0.409060D+01  0.200473D+01
      5  -0.210710D+01  0.257105D+01  0.445830D+01  0.337902D+01 -0.170545D+02
      6  -0.354528D+01  0.776287D+01  0.187226D+00  0.629194D+01 -0.116474D+02
                91            92            93            94            95 
      1   0.150908D+02  0.362674D+01 -0.218378D+01  0.831447D+00 -0.375452D+01
      2  -0.793787D+01  0.764077D+00  0.270296D+01  0.245681D+01  0.948206D+01
      3  -0.715296D+01 -0.439082D+01 -0.519178D+00 -0.328826D+01 -0.572754D+01
      4   0.228006D+02  0.181779D+02 -0.113444D+02  0.155019D+02  0.160891D+02
      5  -0.192719D+02 -0.115724D+02  0.152363D+02 -0.882200D+01 -0.937218D+01
      6  -0.120956D+02 -0.110001D+02  0.991494D+01 -0.954912D+01 -0.131552D+02
                96            97            98            99           100 
      1   0.186621D+01 -0.111640D+01  0.155564D+01 -0.243952D+01 -0.265314D+01
      2  -0.151736D+01  0.222963D+01 -0.109267D+00 -0.499858D+01  0.438746D+01
      3  -0.348846D+00 -0.111324D+01 -0.144637D+01  0.743810D+01 -0.173431D+01
      4  -0.868188D+01 -0.969712D+01 -0.828692D+01  0.915250D+01 -0.192357D+02
      5   0.674524D+01  0.133857D+02  0.855783D+01 -0.114042D+02 -0.152135D+02
      6   0.100698D+02  0.933543D+01  0.100914D+02 -0.111635D+02 -0.164579D+02
               101           102           103           104           105 
      1  -0.195849D+02 -0.137948D+02 -0.230479D+02  0.251320D+01 -0.808984D+01
      2   0.432493D+01  0.283002D+01  0.554636D+01  0.898641D+01 -0.680764D+01
      3   0.152600D+02  0.109648D+02  0.175015D+02 -0.114996D+02  0.148975D+02
      4  -0.820679D+01 -0.191481D+01 -0.109375D+02  0.263364D+01 -0.142541D+02
      5  -0.114565D+02 -0.743757D+01 -0.116587D+02 -0.156048D+02  0.103746D+02
      6  -0.635291D+01  0.296395D+01 -0.939196D+01  0.700359D+01 -0.195017D+02
               106           107           108           109           110 
      1  -0.108493D+02 -0.357681D+01 -0.310719D+01 -0.215278D+02 -0.304369D+02
      2   0.218976D+01 -0.704357D+01 -0.631857D+01  0.161769D+02  0.181922D+02
      3   0.865950D+01  0.106204D+02  0.942575D+01  0.535097D+01  0.122447D+02
      4   0.263292D+01 -0.956137D+01  0.109241D+02 -0.292309D+02 -0.153493D+01
      5  -0.617271D+01  0.114935D+02  0.800635D+01 -0.110139D+02  0.776092D+01
      6   0.715464D+01 -0.132907D+02  0.138175D+02  0.635997D+01 -0.291484D+01
               111           112           113           114           115 
      1  -0.105288D+02 -0.394100D+02 -0.304154D+01  0.220897D+01 -0.113352D+02
      2   0.232871D+01  0.249733D+02 -0.721486D+01  0.662066D+01  0.106049D+01
      3   0.820011D+01  0.144366D+02  0.102564D+02 -0.882963D+01  0.102747D+02
      4   0.848682D+01 -0.941770D+01  0.162283D+02 -0.155053D+02  0.103963D+02
      5   0.168034D+01  0.925772D+01 -0.141817D+02  0.147931D+02 -0.198327D+01
      6   0.139308D+00 -0.461456D+01  0.918736D+01 -0.835494D+01  0.365043D+01
               116           117           118           119           120 
      1   0.206579D+01  0.701304D+01 -0.410813D-01  0.173517D+01 -0.350376D+00
      2   0.862140D+01 -0.676005D+01  0.387679D+01 -0.256772D+01 -0.552815D+00
      3  -0.106872D+02 -0.252993D+00 -0.383571D+01  0.832547D+00  0.903191D+00
      4  -0.165254D+02  0.162117D+02 -0.194481D+00  0.984565D+01 -0.981636D+00
      5   0.172620D+02  0.207024D+02  0.483962D+00  0.392033D+00  0.281952D+01
      6  -0.808363D+01 -0.883566D+01  0.133979D+00 -0.315716D+00 -0.858540D-01
               121           122           123           124           125 
      1   0.467150D+00 -0.291571D+02 -0.355794D+00 -0.585493D+00  0.395697D+00
      2   0.121721D+01  0.533968D+02 -0.675059D+00 -0.865479D+00 -0.181500D+01
      3  -0.168436D+01 -0.242397D+02  0.103085D+01  0.145097D+01  0.141930D+01
      4   0.837631D+01  0.129925D+01  0.258100D+00 -0.177862D+01 -0.602155D+00
      5   0.194816D+00  0.119246D+01  0.218990D+00  0.215924D+01  0.647343D-01
      6   0.351701D+00  0.490432D+01  0.706215D+01  0.630500D+00  0.784828D+01
               126           127           128           129           130 
      1  -0.415232D+01 -0.121321D+01  0.206560D+01  0.639175D+01  0.246431D+01
      2   0.329920D+01 -0.682149D+01  0.315956D+01  0.801063D+01  0.167538D+01
      3   0.853119D+00  0.803471D+01 -0.522517D+01 -0.144024D+02 -0.413969D+01
      4   0.235944D+00 -0.420412D+01  0.352234D+01  0.367836D+01  0.396080D+01
      5   0.115648D+01 -0.846916D+01  0.406983D+01  0.121587D+02  0.407847D+01
      6   0.436439D+00  0.522063D+01 -0.611530D+01 -0.769164D+01 -0.558524D+01
               131           132           133           134           135 
      1  -0.601880D+01 -0.905944D+01  0.323052D+01 -0.646171D+01 -0.174186D+02
      2   0.143874D+00 -0.387603D+01  0.545832D+01 -0.405829D+01 -0.152696D+02
      3   0.587493D+01  0.129355D+02 -0.868884D+01  0.105200D+02  0.326883D+02
      4  -0.347494D+01 -0.330456D+01  0.340891D+01 -0.290131D+01 -0.422168D+01
      5  -0.480873D+01 -0.534573D+01  0.104713D+02 -0.508840D+01 -0.121989D+02
      6   0.106887D+02  0.126631D+02 -0.590145D+01  0.100698D+02  0.150224D+02
               136           137           138           139           140 
      1   0.183735D+01  0.172107D+01 -0.632197D+01  0.164362D+01 -0.165734D+01
      2  -0.108701D+02  0.141262D+01 -0.112887D+02  0.235723D+01  0.696640D+00
      3   0.903276D+01 -0.313369D+01  0.176107D+02 -0.400086D+01  0.960703D+00
      4   0.813851D+00  0.390707D+01 -0.226695D+00  0.347074D+01 -0.788142D+00
      5   0.188400D+02 -0.201838D+01  0.174495D+02 -0.376869D+01  0.236300D+01
      6  -0.246299D+01  0.420098D+01 -0.346074D+01  0.284346D+01 -0.376809D+01
               141           142           143           144           145 
      1   0.213842D+01 -0.206894D+01  0.771948D+00 -0.859502D+01 -0.699737D+01
      2   0.173025D+01 -0.770872D+01 -0.235820D+00 -0.118532D+02  0.158421D+01
      3  -0.386867D+01  0.977766D+01 -0.536128D+00  0.204482D+02  0.541316D+01
      4   0.113917D+01  0.319149D+00  0.161688D+01 -0.570907D+00  0.188382D+01
      5  -0.422080D+01  0.135745D+02 -0.215908D+01  0.137931D+02 -0.893418D+01
      6   0.555959D+01 -0.256357D+01  0.465149D+01 -0.180121D+01  0.617463D+01
               146           147           148           149           150 
      1   0.797981D+01  0.110960D+02  0.826039D+01 -0.788419D+01 -0.692360D+01
      2  -0.194775D+01  0.297176D+01 -0.271679D+01  0.199201D+01  0.111886D+00
      3  -0.603206D+01 -0.140678D+02 -0.554361D+01  0.589217D+01  0.681172D+01
      4   0.499286D+00 -0.898694D+00  0.243790D+01  0.801601D+00  0.288869D+01
      5   0.376100D+01  0.183768D+01  0.564524D+01  0.152350D-01 -0.118349D+01
      6  -0.582791D+01 -0.605700D+01 -0.356684D+01  0.701179D+01  0.889157D+01
               151           152           153           154           155 
      1   0.730550D+01 -0.620523D+01 -0.103839D+02  0.277727D+02  0.969942D+01
      2   0.657980D+00  0.181191D+01 -0.367943D+01 -0.159708D+02 -0.308382D+01
      3  -0.796348D+01  0.439332D+01  0.140633D+02 -0.118019D+02 -0.661560D+01
      4  -0.386484D+00  0.135432D+01 -0.584650D-01  0.188240D+02  0.147645D+02
      5   0.570515D+01 -0.266685D+01 -0.255793D+01  0.274198D+02  0.123371D+02
      6  -0.513927D+01  0.783493D+01  0.583097D+01  0.119921D+02  0.100612D+02
               156           157           158           159           160 
      1   0.574460D+01  0.121953D+02  0.398005D+01  0.155175D+01  0.373499D+00
      2  -0.873021D+01 -0.462810D+01  0.369696D+00 -0.309064D+01 -0.373902D+01
      3   0.298561D+01 -0.756720D+01 -0.434975D+01  0.153889D+01  0.336552D+01
      4   0.703388D+01  0.161575D+02  0.141998D+02  0.777601D+01  0.187030D+01
      5   0.179990D+02  0.149889D+02  0.111932D+02  0.910375D+01  0.980878D+01
      6   0.597470D+01  0.101080D+02  0.955440D+01  0.915795D+01  0.344769D+01
               161           162           163           164           165 
      1  -0.109252D+00  0.125194D+01  0.189368D+01 -0.334212D+00  0.300446D+01
      2  -0.102349D+01 -0.400417D+01 -0.329099D+01  0.182916D+01 -0.402829D+01
      3   0.113274D+01  0.275223D+01  0.139731D+01 -0.149494D+01  0.102383D+01
      4   0.282073D+01  0.312667D+01 -0.171293D+01  0.538722D+01 -0.270919D+01
      5   0.391084D+01  0.687756D+01  0.709608D+01 -0.329791D+01  0.870851D+01
      6   0.547195D+01  0.257083D+01 -0.220008D+01  0.293625D+01 -0.240699D+01
               166           167           168           169           170 
      1  -0.378030D+00 -0.800274D+01  0.106427D+02  0.130506D+01  0.618433D+01
      2   0.339652D+01 -0.754833D-01  0.820352D+01 -0.474299D+01  0.511331D+01
      3  -0.301849D+01  0.807823D+01 -0.188462D+02  0.343792D+01 -0.112976D+02
      4   0.780161D+01 -0.131980D+02  0.103959D+02 -0.319774D+01  0.688670D+01
      5  -0.879335D+01  0.109134D+02 -0.157625D+02  0.927764D+01 -0.819905D+01
      6   0.648804D+01 -0.212753D+02  0.198656D+02 -0.380790D+01  0.141585D+02
               171           172           173           174           175 
      1  -0.117308D+02  0.419207D+01  0.985097D+00 -0.219315D+01  0.119456D+01
      2  -0.114688D+02 -0.342322D+01 -0.497447D-01  0.247049D+01 -0.166022D+01
      3   0.231996D+02 -0.768848D+00 -0.935353D+00 -0.277336D+00  0.465666D+00
      4  -0.773009D+01  0.228499D+00  0.185844D+01  0.216440D+01  0.577903D+01
      5   0.149542D+02 -0.328216D+01  0.138337D+01  0.532465D+01  0.246094D+01
      6  -0.153575D+02  0.153622D+01 -0.372996D+00 -0.154122D+01 -0.147264D+01
               176           177           178           179           180 
      1  -0.176894D+01 -0.300605D+01 -0.864641D+01 -0.200843D+01 -0.626992D+01
      2   0.354465D+01  0.136414D+01  0.549160D+01  0.179039D+01 -0.503579D+01
      3  -0.177571D+01  0.164191D+01  0.315481D+01  0.218039D+00  0.113057D+02
      4  -0.806424D+01 -0.510901D+01  0.712134D+01 -0.902002D+01 -0.115605D+02
      5  -0.514792D+01 -0.993413D+01  0.120944D+02 -0.120808D+02 -0.335457D+02
      6   0.496181D+01  0.941669D+01 -0.439659D+01  0.101424D+02  0.169565D+02
               181           182           183           184           185 
      1   0.925964D+01 -0.375078D+01  0.369090D+01 -0.591126D+01 -0.294468D+01
      2  -0.217139D+01 -0.813028D+00 -0.736448D+00 -0.503939D+01  0.229802D+02
      3  -0.708826D+01  0.456381D+01 -0.295445D+01  0.109507D+02 -0.200355D+02
      4  -0.700334D+01  0.111841D+02 -0.495811D+01  0.219008D+02 -0.369554D+02
      5   0.403927D+01 -0.385603D+01  0.380222D+01 -0.608547D+01  0.118607D+02
      6  -0.290186D+01  0.124431D+01 -0.774722D+00  0.381959D+01 -0.969369D+01
               186           187           188           189           190 
      1   0.153320D+01  0.847836D+01  0.101357D+01 -0.197015D+01  0.675988D+02
      2  -0.692940D+01 -0.106070D+01 -0.902108D+01  0.303599D+01 -0.368820D+02
      3   0.539620D+01 -0.741766D+01  0.800750D+01 -0.106584D+01 -0.307168D+02
      4   0.126503D+02 -0.122717D+02  0.183532D+02 -0.113913D+02  0.785105D+01
      5  -0.120627D+02  0.765700D+01 -0.115938D+02  0.966745D+01 -0.851609D+00
      6   0.923420D+01 -0.452770D+01  0.948473D+01 -0.778008D+01 -0.153835D+01
               191           192           193           194           195 
      1   0.163711D+02  0.196120D+01  0.352816D+02  0.117589D+02  0.542581D+00
      2  -0.106906D+02 -0.929052D+00 -0.195657D+02 -0.476468D+01 -0.873883D+00
      3  -0.568053D+01 -0.103214D+01 -0.157160D+02 -0.699417D+01  0.331301D+00
      4   0.118569D+02  0.736617D-01  0.132595D+02  0.103902D+02  0.213089D+01
      5  -0.540194D+00  0.880696D+01 -0.178128D+01  0.135277D+01  0.487160D+01
      6  -0.800246D+00 -0.975684D+00 -0.794248D+00 -0.160981D+01  0.154024D+01
               196           197           198           199           200 
      1   0.599095D+01  0.518552D+00  0.506114D+01  0.241982D+02 -0.370268D+01
      2  -0.274318D+01 -0.160662D+01 -0.344471D+01 -0.125876D+02  0.163342D+00
      3  -0.324776D+01  0.108806D+01 -0.161643D+01 -0.116106D+02  0.353933D+01
      4  -0.581437D+00  0.299568D+01  0.183415D+00 -0.145519D+02  0.976328D+01
      5   0.941794D+01  0.957849D+00  0.119003D+00  0.131022D+02 -0.228416D+01
      6  -0.380348D+00  0.205709D+01  0.912899D+00 -0.486210D+01  0.828725D+00
               201           202           203           204           205 
      1   0.102886D+02 -0.449249D+00  0.224011D+01  0.626899D+00  0.168358D+02
      2  -0.579757D+01 -0.114001D+01 -0.569916D+00 -0.954899D+00 -0.982587D+01
      3  -0.449107D+01  0.158926D+01 -0.167020D+01  0.328000D+00 -0.700995D+01
      4  -0.615986D+01  0.745377D+01 -0.271652D+01  0.314148D+01 -0.101143D+02
      5   0.114703D+02 -0.428032D+00  0.307017D+01 -0.215567D+01  0.138866D+02
      6  -0.450320D+01  0.165100D+01 -0.146152D+01  0.376790D+01 -0.642581D+01
               206           207           208           209           210 
      1  -0.225005D+00  0.727364D+01 -0.119485D+01  0.491167D+01 -0.292900D+01
      2  -0.216494D+01 -0.675838D+01  0.475637D+01 -0.899516D+01  0.408400D+01
      3   0.238995D+01 -0.515252D+00 -0.356151D+01  0.408349D+01 -0.115500D+01
      4   0.722434D+01 -0.936268D+01 -0.669481D+01  0.120542D+02 -0.469583D+01
      5  -0.520201D+01  0.130232D+02  0.222481D+01 -0.367689D+01  0.428271D+01
      6   0.392495D+01 -0.590440D+01 -0.498573D+01  0.706951D+01 -0.379506D+01
               211           212           213           214           215 
      1   0.337339D+01 -0.297029D+02  0.124269D+02 -0.359809D+01  0.198409D+02
      2  -0.676443D+01  0.453252D+02 -0.160184D+02  0.538436D+01 -0.247704D+02
      3   0.339104D+01 -0.156223D+02  0.359143D+01 -0.178627D+01  0.492948D+01
      4   0.817960D+01 -0.116578D+02  0.577594D+01 -0.511438D+01  0.844972D+01
      5  -0.223702D+01  0.468041D+01 -0.256029D+01  0.373551D+01 -0.456953D+01
      6   0.536305D+01 -0.248513D+02  0.175874D+02 -0.398518D+01  0.252281D+02
               216           217           218           219           220 
      1  -0.154406D+02 -0.105733D+01 -0.512019D+01 -0.338055D+01 -0.288284D+01
      2   0.130301D+02  0.339206D+01  0.105220D+02  0.541712D+01  0.567917D+01
      3   0.241051D+01 -0.233473D+01 -0.540178D+01 -0.203657D+01 -0.279633D+01
      4  -0.458477D+01  0.774259D+01  0.832041D+01  0.515004D+01  0.592240D+01
      5   0.427723D+01  0.285821D+01  0.205480D+01  0.375950D+01  0.166457D+01
      6  -0.199414D+02  0.572600D+01  0.593757D+01  0.489631D+01  0.512387D+01
               221           222           223           224           225 
      1  -0.161400D+02 -0.646713D+01 -0.588284D+01 -0.120595D+02 -0.117230D+02
      2   0.253077D+02  0.893077D+01  0.596753D+01  0.167117D+02  0.114989D+02
      3  -0.916773D+01 -0.246364D+01 -0.846926D-01 -0.465216D+01  0.224089D+00
      4   0.652453D+01  0.425327D+01  0.658722D+01  0.546265D+01  0.479894D+01
      5   0.191922D+01  0.146592D+01  0.348775D+01  0.191121D+01  0.276927D+01
      6   0.112283D+02  0.128058D+02  0.614111D+01  0.173752D+02  0.167777D+02
               226           227           228           229           230 
      1   0.995589D+01 -0.735525D+00  0.496295D+01 -0.509903D+01 -0.223671D+01
      2  -0.766109D+01  0.455514D+00 -0.349070D+01  0.349298D+01  0.318680D+01
      3  -0.229479D+01  0.280010D+00 -0.147225D+01  0.160605D+01 -0.950086D+00
      4   0.161609D+01  0.144471D+01  0.285460D+01  0.192843D+01  0.330623D+01
      5   0.587728D+01  0.153608D+01  0.121702D+02  0.516413D+00  0.295612D+01
      6   0.239313D+01  0.713508D+00  0.366103D+01  0.105719D+01  0.400637D+00
               231           232           233           234           235 
      1  -0.264361D-01  0.139756D+02  0.141360D+01  0.552918D+01  0.667941D+02
      2   0.884816D+00 -0.835506D+01  0.142089D+01 -0.115611D+02 -0.388726D+02
      3  -0.858379D+00 -0.562055D+01 -0.283449D+01  0.603196D+01 -0.279215D+02
      4   0.346664D+01  0.905607D+01  0.946858D+01  0.568283D+01  0.658807D+01
      5  -0.260407D+00  0.181583D+02  0.398832D+01  0.379305D+02 -0.258144D+02
      6   0.369921D+01  0.603974D+01  0.520988D+01  0.168656D+02 -0.425802D+01
               236           237           238           239           240 
      1  -0.673850D+01 -0.188228D+02 -0.222291D+02  0.473233D+01  0.585606D+01
      2   0.584364D+01  0.129940D+02  0.137924D+02 -0.133863D+01 -0.532702D+01
      3   0.894864D+00  0.582875D+01  0.843670D+01 -0.339370D+01 -0.529046D+00
      4   0.913660D+01 -0.136057D+01  0.581919D+01 -0.305145D+01 -0.389080D+01
      5   0.241432D+01  0.181799D+02  0.800687D+01 -0.492176D+01 -0.660450D+01
      6  -0.752484D+00  0.407820D+01 -0.421738D+00 -0.195774D+00  0.608182D+00
               241           242           243           244           245 
      1  -0.266848D+02  0.250790D+01  0.129068D+02  0.166106D+01  0.541272D+01
      2   0.178541D+02 -0.398707D+01 -0.121364D+02  0.961478D+00 -0.454100D+01
      3   0.883071D+01  0.147917D+01 -0.770353D+00 -0.262254D+01 -0.871713D+00
      4  -0.374495D+01 -0.707293D+01  0.103382D+01  0.176276D+01  0.387513D+01
      5   0.221221D+02 -0.175049D+01 -0.133170D+02 -0.242043D+01 -0.447700D+00
      6   0.402820D+01  0.230522D+01 -0.141422D+01 -0.198933D+01  0.587567D+00
               246           247           248           249           250 
      1  -0.314054D+01  0.569329D+01 -0.210404D+02  0.491750D+01 -0.496223D+01
      2   0.177928D+01  0.302697D+01  0.447846D+02 -0.686239D+01  0.171726D+01
      3   0.136126D+01 -0.872027D+01 -0.237441D+02  0.194489D+01  0.324497D+01
      4  -0.107081D+01  0.171522D+02  0.477335D+02 -0.839557D+01 -0.445132D+01
      5   0.194092D+01 -0.221740D+01 -0.886229D+01  0.792918D+01  0.544254D+01
      6  -0.573715D+00 -0.266586D+01 -0.130230D+02  0.978039D+01  0.231678D+01
               251           252 
      1   0.519359D+01 -0.208229D+01
      2  -0.778535D+01  0.276585D+01
      3   0.259176D+01 -0.683564D+00
      4  -0.103807D+02  0.628768D+01
      5   0.640727D+01 -0.211083D+01
      6   0.970891D+01 -0.433398D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 23:42:58 2021, MaxMem= 17179869184 cpu:           32177.0 elap:            2688.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.29543 -10.28983 -10.28833 -10.28658 -10.28337
 Alpha  occ. eigenvalues --  -10.28319 -10.27984 -10.27806 -10.27718 -10.27584
 Alpha  occ. eigenvalues --   -0.97873  -0.88390  -0.84783  -0.83017  -0.77768
 Alpha  occ. eigenvalues --   -0.75932  -0.71214  -0.68063  -0.65753  -0.58218
 Alpha  occ. eigenvalues --   -0.57538  -0.56223  -0.53552  -0.51374  -0.50592
 Alpha  occ. eigenvalues --   -0.49308  -0.48045  -0.46880  -0.46286  -0.44819
 Alpha  occ. eigenvalues --   -0.44715  -0.43169  -0.42790  -0.41552  -0.40676
 Alpha  occ. eigenvalues --   -0.38212  -0.36308  -0.35884  -0.34451
 Alpha virt. eigenvalues --    0.03645   0.04354   0.04445   0.04538   0.05991
 Alpha virt. eigenvalues --    0.06182   0.06308   0.06432   0.06541   0.08223
 Alpha virt. eigenvalues --    0.08458   0.08590   0.08848   0.08871   0.09541
 Alpha virt. eigenvalues --    0.10016   0.11349   0.11725   0.12705   0.13513
 Alpha virt. eigenvalues --    0.13683   0.13871   0.14280   0.14470   0.15138
 Alpha virt. eigenvalues --    0.15343   0.15440   0.15853   0.16195   0.16561
 Alpha virt. eigenvalues --    0.16870   0.17098   0.17588   0.17854   0.18352
 Alpha virt. eigenvalues --    0.18769   0.19040   0.19539   0.19863   0.20561
 Alpha virt. eigenvalues --    0.20836   0.21205   0.21489   0.21867   0.22341
 Alpha virt. eigenvalues --    0.22797   0.23139   0.23377   0.24213   0.24469
 Alpha virt. eigenvalues --    0.24751   0.25157   0.25745   0.26294   0.26565
 Alpha virt. eigenvalues --    0.27005   0.27129   0.28362   0.28690   0.29250
 Alpha virt. eigenvalues --    0.29466   0.30155   0.30987   0.31233   0.32152
 Alpha virt. eigenvalues --    0.32376   0.32554   0.33121   0.34513   0.34946
 Alpha virt. eigenvalues --    0.35602   0.36140   0.36367   0.37256   0.37535
 Alpha virt. eigenvalues --    0.37824   0.39009   0.39397   0.39672   0.39902
 Alpha virt. eigenvalues --    0.40408   0.41281   0.41909   0.42482   0.42640
 Alpha virt. eigenvalues --    0.42993   0.44198   0.44352   0.44967   0.45256
 Alpha virt. eigenvalues --    0.45936   0.46104   0.46414   0.46921   0.47178
 Alpha virt. eigenvalues --    0.47818   0.47960   0.48235   0.48670   0.49723
 Alpha virt. eigenvalues --    0.50245   0.50906   0.51498   0.53331   0.53807
 Alpha virt. eigenvalues --    0.54048   0.54878   0.55125   0.55887   0.56861
 Alpha virt. eigenvalues --    0.57162   0.57542   0.58212   0.58897   0.59638
 Alpha virt. eigenvalues --    0.60090   0.60349   0.61057   0.61285   0.62478
 Alpha virt. eigenvalues --    0.62561   0.63377   0.63670   0.63999   0.64645
 Alpha virt. eigenvalues --    0.64801   0.65285   0.65474   0.66170   0.67184
 Alpha virt. eigenvalues --    0.67801   0.68639   0.69091   0.69255   0.70059
 Alpha virt. eigenvalues --    0.70694   0.71674   0.72146   0.72634   0.72734
 Alpha virt. eigenvalues --    0.73204   0.74182   0.74363   0.74952   0.75434
 Alpha virt. eigenvalues --    0.76149   0.76349   0.76989   0.77400   0.78558
 Alpha virt. eigenvalues --    0.78980   0.79081   0.79523   0.79751   0.80634
 Alpha virt. eigenvalues --    0.81116   0.81625   0.82095   0.83265   0.83491
 Alpha virt. eigenvalues --    0.84159   0.85134   0.85762   0.85992   0.86634
 Alpha virt. eigenvalues --    0.86846   0.87383   0.88240   0.89392   0.89860
 Alpha virt. eigenvalues --    0.90405   0.91050   0.91300   0.91625   0.92927
 Alpha virt. eigenvalues --    0.93787   0.95026   0.95293   0.96368   0.97263
 Alpha virt. eigenvalues --    0.97797   0.99081   0.99376   1.00997   1.02308
 Alpha virt. eigenvalues --    1.03563   1.05239   1.06488   1.07689   1.07907
 Alpha virt. eigenvalues --    1.09092   1.09466   1.11114   1.12681   1.13654
 Alpha virt. eigenvalues --    1.14371   1.16002   1.17265   1.18152   1.19117
 Alpha virt. eigenvalues --    1.20593   1.20872   1.22155   1.22946   1.26364
 Alpha virt. eigenvalues --    1.27825   1.29018   1.30420   1.31550   1.32100
 Alpha virt. eigenvalues --    1.33847   1.34939   1.37069   1.40102   1.40470
 Alpha virt. eigenvalues --    1.42134   1.42618   1.43893   1.46652   1.48688
 Alpha virt. eigenvalues --    1.50508   1.50945   1.51944   1.52635   1.54068
 Alpha virt. eigenvalues --    1.54936   1.55721   1.57605   1.58516   1.59568
 Alpha virt. eigenvalues --    1.60738   1.62629   1.64636   1.66092   1.67393
 Alpha virt. eigenvalues --    1.68391   1.69475   1.70379   1.70966   1.71702
 Alpha virt. eigenvalues --    1.73008   1.73892   1.74924   1.75598   1.77655
 Alpha virt. eigenvalues --    1.79022   1.79705   1.81495   1.81872   1.82391
 Alpha virt. eigenvalues --    1.84698   1.86442   1.88566   1.89748   1.89989
 Alpha virt. eigenvalues --    1.91187   1.92315   1.93067   1.93277   1.94359
 Alpha virt. eigenvalues --    1.96019   1.97458   1.97986   1.98698   2.00621
 Alpha virt. eigenvalues --    2.00776   2.01872   2.03137   2.04372   2.05124
 Alpha virt. eigenvalues --    2.06670   2.09059   2.09277   2.10099   2.11283
 Alpha virt. eigenvalues --    2.12254   2.13651   2.14652   2.15604   2.17397
 Alpha virt. eigenvalues --    2.18536   2.19844   2.21475   2.21971   2.24191
 Alpha virt. eigenvalues --    2.24827   2.26274   2.26698   2.27833   2.29678
 Alpha virt. eigenvalues --    2.29932   2.31238   2.32173   2.33050   2.34040
 Alpha virt. eigenvalues --    2.35661   2.36003   2.37806   2.38142   2.39526
 Alpha virt. eigenvalues --    2.40304   2.41571   2.42694   2.43360   2.45130
 Alpha virt. eigenvalues --    2.47551   2.48251   2.48808   2.50720   2.51701
 Alpha virt. eigenvalues --    2.53750   2.55719   2.56231   2.58782   2.59133
 Alpha virt. eigenvalues --    2.60283   2.61308   2.63554   2.65376   2.67088
 Alpha virt. eigenvalues --    2.67384   2.69342   2.70277   2.71150   2.72238
 Alpha virt. eigenvalues --    2.73993   2.75485   2.78039   2.78963   2.81411
 Alpha virt. eigenvalues --    2.83270   2.84869   2.87428   2.88981   2.91414
 Alpha virt. eigenvalues --    2.93558   2.94827   2.96308   2.98721   3.01429
 Alpha virt. eigenvalues --    3.03943   3.08808   3.10414   3.21093   3.25579
 Alpha virt. eigenvalues --    3.27404   3.37536   3.49724   3.53065   4.34143
 Alpha virt. eigenvalues --    4.47786   4.53153   4.84190
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.635403  -2.778037  -1.264267   1.369273  -0.707842   1.530317
     2  C   -2.778037  14.031406   0.919413  -2.001888   2.245730  -5.121311
     3  C   -1.264267   0.919413   7.396090  -1.918320   0.564934  -1.006757
     4  C    1.369273  -2.001888  -1.918320  15.016717  -5.248716   4.608216
     5  C   -0.707842   2.245730   0.564934  -5.248716  17.578371  -6.842976
     6  C    1.530317  -5.121311  -1.006757   4.608216  -6.842976  22.029676
     7  C   -1.100791  -0.184595   0.494173  -4.232657   2.157426  -5.932204
     8  H   -1.087645   0.393138   0.333818  -0.164167   0.020843  -0.042635
     9  C   -0.306436  -0.307948   0.127455  -0.231607  -0.127916  -0.196982
    10  H    0.644071  -1.949300   0.032378  -0.148583   0.016100   0.084907
    11  H   -0.103189   0.242627   0.485613  -2.514941   0.427495  -0.480302
    12  C   -0.387246  -0.205116  -0.060028   1.520926  -2.874854   1.756190
    13  C    0.272866  -0.186008  -0.334573  -0.293933  -1.247104  -0.630662
    14  H    0.059665   0.467761   0.056771  -0.326581   0.275895  -3.596311
    15  H   -0.122270   0.109999   0.057318   0.268843   0.184890  -0.024571
    16  H    0.175776   0.455277   0.014175  -0.940080   0.471094  -1.267410
    17  H   -0.027162  -0.096082  -0.154666  -0.307346   0.770999  -0.385136
    18  H    0.016116  -0.034301   0.083730  -0.045222  -0.145400   0.190019
    19  H   -0.012684   0.219728  -0.001543   0.041838   0.282825  -0.279145
    20  H    0.006671   0.103874   0.011026   0.054180   1.038340   0.012790
    21  H   -0.003499  -0.004693  -0.034282  -0.006741  -0.173555  -0.190794
    22  H    0.009880  -0.055603   0.023721  -0.112288  -0.090515   0.088771
    23  H   -0.171785   0.309005   0.079666   0.013569  -0.030761  -0.287652
    24  H    0.001047   0.067350  -0.208344  -0.007929   0.339298  -0.130136
    25  H    0.453779  -0.041856  -0.411947   0.070176  -0.039813  -0.182180
    26  H   -0.191193  -0.019568   0.097783  -0.103250   0.123156  -0.368963
    27  H    0.136565  -0.063962  -0.021823   0.054789  -0.129628   0.210344
    28  H   -0.073434   0.260612  -0.024663  -0.012672   0.073161  -0.027819
               7          8          9         10         11         12
     1  C   -1.100791  -1.087645  -0.306436   0.644071  -0.103189  -0.387246
     2  C   -0.184595   0.393138  -0.307948  -1.949300   0.242627  -0.205116
     3  C    0.494173   0.333818   0.127455   0.032378   0.485613  -0.060028
     4  C   -4.232657  -0.164167  -0.231607  -0.148583  -2.514941   1.520926
     5  C    2.157426   0.020843  -0.127916   0.016100   0.427495  -2.874854
     6  C   -5.932204  -0.042635  -0.196982   0.084907  -0.480302   1.756190
     7  C   11.434415   0.184620   0.326888   0.304500   0.888733  -1.088173
     8  H    0.184620   2.714627   0.243161  -0.278189  -0.002439   0.018726
     9  C    0.326888   0.243161   5.705727  -0.330205   0.005868  -0.039818
    10  H    0.304500  -0.278189  -0.330205   3.265731   0.004364  -0.106874
    11  H    0.888733  -0.002439   0.005868   0.004364   3.141344  -0.283214
    12  C   -1.088173   0.018726  -0.039818  -0.106874  -0.283214   7.277913
    13  C    0.596416  -0.028639  -0.043786   0.007515   0.064870  -0.712809
    14  H    1.213346  -0.000784  -0.036828   0.045664  -0.002928  -0.321744
    15  H   -0.774568  -0.002688  -0.004997   0.044370  -0.103980   0.157143
    16  H    0.485613   0.027688  -0.092767  -0.016585   0.153658  -0.227893
    17  H    0.220729   0.004251  -0.021284  -0.056107  -0.023379  -0.259956
    18  H   -0.022166   0.004930   0.014254   0.009852   0.019040   0.070272
    19  H   -0.001485   0.007041   0.025986  -0.001652   0.002420   0.084741
    20  H   -0.341847  -0.002680  -0.021564   0.009198  -0.056415  -0.113585
    21  H    0.132193   0.000567   0.006835   0.013164   0.020957   0.089258
    22  H    0.047882   0.000834   0.006060  -0.014228  -0.009548   0.104805
    23  H    0.084227  -0.762821  -0.391168   0.159249  -0.003371   0.023414
    24  H    0.031615   0.149341   0.007038  -0.001536  -0.093572  -0.000828
    25  H    0.074098  -0.318948   0.009530   0.021276   0.018122  -0.166426
    26  H    0.106858   0.004827   0.484755   0.098463   0.000075   0.004513
    27  H   -0.067544   0.011311   0.165194  -0.055798   0.001438   0.013549
    28  H    0.087995   0.017319   0.021438  -0.096166   0.000404  -0.020232
              13         14         15         16         17         18
     1  C    0.272866   0.059665  -0.122270   0.175776  -0.027162   0.016116
     2  C   -0.186008   0.467761   0.109999   0.455277  -0.096082  -0.034301
     3  C   -0.334573   0.056771   0.057318   0.014175  -0.154666   0.083730
     4  C   -0.293933  -0.326581   0.268843  -0.940080  -0.307346  -0.045222
     5  C   -1.247104   0.275895   0.184890   0.471094   0.770999  -0.145400
     6  C   -0.630662  -3.596311  -0.024571  -1.267410  -0.385136   0.190019
     7  C    0.596416   1.213346  -0.774568   0.485613   0.220729  -0.022166
     8  H   -0.028639  -0.000784  -0.002688   0.027688   0.004251   0.004930
     9  C   -0.043786  -0.036828  -0.004997  -0.092767  -0.021284   0.014254
    10  H    0.007515   0.045664   0.044370  -0.016585  -0.056107   0.009852
    11  H    0.064870  -0.002928  -0.103980   0.153658  -0.023379   0.019040
    12  C   -0.712809  -0.321744   0.157143  -0.227893  -0.259956   0.070272
    13  C    6.902985   0.194253  -0.061029   0.118648   0.316718  -0.119196
    14  H    0.194253   3.920109  -0.114134   0.187016  -0.013237   0.002273
    15  H   -0.061029  -0.114134   3.064699  -1.101862   0.023329   0.000239
    16  H    0.118648   0.187016  -1.101862   3.330842  -0.006641  -0.005360
    17  H    0.316718  -0.013237   0.023329  -0.006641   2.476017  -0.651191
    18  H   -0.119196   0.002273   0.000239  -0.005360  -0.651191   2.098788
    19  H   -0.272136   0.015800  -0.004958  -0.001173  -0.622284  -0.253851
    20  H   -0.410345  -0.059890  -0.051908  -0.012162  -0.062654   0.027795
    21  H    0.283679  -0.010936   0.012422   0.013639   0.047539   0.023013
    22  H    0.141824   0.028271   0.003594   0.006822   0.050097  -0.069860
    23  H    0.027621  -0.010424   0.039729  -0.062059   0.009940  -0.001779
    24  H    0.013840  -0.006642   0.021713  -0.051627  -0.006788   0.014997
    25  H    0.042936  -0.000887   0.004554   0.014451   0.058597  -0.024726
    26  H   -0.010709  -0.033714   0.032431  -0.055470  -0.001866   0.001853
    27  H    0.001596   0.036232  -0.009319  -0.000841   0.007489   0.000499
    28  H    0.005508  -0.011940   0.003516   0.009418  -0.007350   0.000207
              19         20         21         22         23         24
     1  C   -0.012684   0.006671  -0.003499   0.009880  -0.171785   0.001047
     2  C    0.219728   0.103874  -0.004693  -0.055603   0.309005   0.067350
     3  C   -0.001543   0.011026  -0.034282   0.023721   0.079666  -0.208344
     4  C    0.041838   0.054180  -0.006741  -0.112288   0.013569  -0.007929
     5  C    0.282825   1.038340  -0.173555  -0.090515  -0.030761   0.339298
     6  C   -0.279145   0.012790  -0.190794   0.088771  -0.287652  -0.130136
     7  C   -0.001485  -0.341847   0.132193   0.047882   0.084227   0.031615
     8  H    0.007041  -0.002680   0.000567   0.000834  -0.762821   0.149341
     9  C    0.025986  -0.021564   0.006835   0.006060  -0.391168   0.007038
    10  H   -0.001652   0.009198   0.013164  -0.014228   0.159249  -0.001536
    11  H    0.002420  -0.056415   0.020957  -0.009548  -0.003371  -0.093572
    12  C    0.084741  -0.113585   0.089258   0.104805   0.023414  -0.000828
    13  C   -0.272136  -0.410345   0.283679   0.141824   0.027621   0.013840
    14  H    0.015800  -0.059890  -0.010936   0.028271  -0.010424  -0.006642
    15  H   -0.004958  -0.051908   0.012422   0.003594   0.039729   0.021713
    16  H   -0.001173  -0.012162   0.013639   0.006822  -0.062059  -0.051627
    17  H   -0.622284  -0.062654   0.047539   0.050097   0.009940  -0.006788
    18  H   -0.253851   0.027795   0.023013  -0.069860  -0.001779   0.014997
    19  H    1.998766   0.021053  -0.078051   0.016277  -0.005188  -0.002360
    20  H    0.021053   1.926748  -0.393078  -0.407052   0.002578  -0.000003
    21  H   -0.078051  -0.393078   1.903175  -0.470901  -0.000238   0.003531
    22  H    0.016277  -0.407052  -0.470901   1.867857  -0.000682  -0.000807
    23  H   -0.005188   0.002578  -0.000238  -0.000682   2.660140  -0.337986
    24  H   -0.002360  -0.000003   0.003531  -0.000807  -0.337986   2.192216
    25  H    0.006847   0.003762  -0.008843   0.015017   0.201112  -0.650921
    26  H    0.002163   0.001365  -0.000178  -0.000594  -0.039805   0.014032
    27  H   -0.001537  -0.000547  -0.000137   0.000321  -0.065032   0.000247
    28  H    0.002156  -0.004680   0.000840   0.001862   0.004852  -0.003056
              25         26         27         28
     1  C    0.453779  -0.191193   0.136565  -0.073434
     2  C   -0.041856  -0.019568  -0.063962   0.260612
     3  C   -0.411947   0.097783  -0.021823  -0.024663
     4  C    0.070176  -0.103250   0.054789  -0.012672
     5  C   -0.039813   0.123156  -0.129628   0.073161
     6  C   -0.182180  -0.368963   0.210344  -0.027819
     7  C    0.074098   0.106858  -0.067544   0.087995
     8  H   -0.318948   0.004827   0.011311   0.017319
     9  C    0.009530   0.484755   0.165194   0.021438
    10  H    0.021276   0.098463  -0.055798  -0.096166
    11  H    0.018122   0.000075   0.001438   0.000404
    12  C   -0.166426   0.004513   0.013549  -0.020232
    13  C    0.042936  -0.010709   0.001596   0.005508
    14  H   -0.000887  -0.033714   0.036232  -0.011940
    15  H    0.004554   0.032431  -0.009319   0.003516
    16  H    0.014451  -0.055470  -0.000841   0.009418
    17  H    0.058597  -0.001866   0.007489  -0.007350
    18  H   -0.024726   0.001853   0.000499   0.000207
    19  H    0.006847   0.002163  -0.001537   0.002156
    20  H    0.003762   0.001365  -0.000547  -0.004680
    21  H   -0.008843  -0.000178  -0.000137   0.000840
    22  H    0.015017  -0.000594   0.000321   0.001862
    23  H    0.201112  -0.039805  -0.065032   0.004852
    24  H   -0.650921   0.014032   0.000247  -0.003056
    25  H    2.161325  -0.004732  -0.002759   0.004051
    26  H   -0.004732   1.705208  -0.338662  -0.389827
    27  H   -0.002759  -0.338662   1.657814  -0.418415
    28  H    0.004051  -0.389827  -0.418415   1.824321
 Mulliken charges:
               1
     1  C    1.026052
     2  C   -0.775655
     3  C    0.663150
     4  C    1.598394
     5  C   -2.911480
     6  C    2.482714
     7  C    0.874303
     8  H   -0.445408
     9  C    1.003116
    10  H   -0.705579
    11  H   -0.799750
    12  C    1.747347
    13  C    1.359654
    14  H   -0.956079
    15  H   -0.652504
    16  H   -0.622188
    17  H   -0.282576
    18  H   -0.204825
    19  H   -0.189593
    20  H   -0.280969
    21  H   -0.174889
    22  H   -0.181818
    23  H   -0.444351
    24  H   -0.353729
    25  H   -0.305594
    26  H   -0.118952
    27  H   -0.121382
    28  H   -0.227409
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.136293
     2  C   -1.481234
     3  C    0.003827
     4  C    0.798645
     5  C   -2.911480
     6  C    1.526634
     7  C   -0.400389
     9  C    0.535374
    12  C    1.070352
    13  C    0.721977
 Electronic spatial extent (au):  <R**2>=           1433.3179
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0015    Y=              0.0815    Z=              0.1044  Tot=              0.1324
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -65.9339   YY=            -65.4491   ZZ=            -65.2580
   XY=             -0.2692   XZ=             -0.2325   YZ=             -0.1660
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3869   YY=              0.0979   ZZ=              0.2890
   XY=             -0.2692   XZ=             -0.2325   YZ=             -0.1660
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.9848  YYY=             -1.1792  ZZZ=             -0.7288  XYY=              1.0464
  XXY=              3.2508  XXZ=              0.0159  XZZ=             -1.3227  YZZ=              0.0377
  YYZ=              1.0642  XYZ=              0.3126
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1079.3983 YYYY=           -527.0819 ZZZZ=           -438.7291 XXXY=              3.1347
 XXXZ=             -1.3642 YYYX=             -0.3828 YYYZ=             -4.9206 ZZZX=             -4.8852
 ZZZY=              0.9781 XXYY=           -269.1566 XXZZ=           -246.7395 YYZZ=           -156.5046
 XXYZ=             -0.4396 YYXZ=              0.4219 ZZXY=             -4.5548
 N-N= 5.951463055390D+02 E-N=-2.096803377383D+03  KE= 3.892343547728D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 23:42:58 2021, MaxMem= 17179869184 cpu:               3.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.35382624D-04 3.45650446D-02 3.94025167D-02
 Polarizability= 1.22105360D+02-1.24919004D-01 1.09054775D+02
                 6.28409595D-01-1.15229645D-01 1.05096169D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3212   -0.3246       -0.0029   -0.0035
 2      0.3212    0.3246        0.0237    0.0246       -6.7328   -6.7320
 3      0.0029    0.0035        8.8265    8.8188       -0.0238   -0.0246
 4     -0.0237   -0.0246        0.0000    0.0000        0.0002    0.0035
 5     -2.0937   -2.0868       -0.0002   -0.0035       -0.3202   -0.3246
 6      0.0238    0.0246        0.3202    0.3246       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.9737    0.9737       -0.0104   -0.0104
 2     -0.0738   -0.0738        0.0000    0.0000       -0.0104   -0.0104
 3     -0.0738   -0.0738        0.9737    0.9737       -0.0000    0.0000
 4      0.9737    0.9737        0.0738    0.0738      -20.1960  -20.1960
 5      0.0104    0.0104       26.4564   26.4564       -0.0738   -0.0738
 6     -6.2604   -6.2604       -0.0104   -0.0104       -0.9737   -0.9737
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2057    0.0000        0.8647    1.2983        0.9092    0.0139
 2     -1.3639   -1.2983       -0.0442   -0.0984       27.4406   26.9280
 3     -0.1334   -0.0139      -35.2239  -35.2752        0.4553    0.0984
 4      0.6273    0.0984        0.2720    0.0000        0.4531   -0.0139
 5      7.7004    8.3471       -0.3753    0.0139        1.0297    1.2983
 6      0.1609   -0.0984       -1.2930   -1.2983        0.2865    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3996    0.0000        6.2601    7.0548       -4.0756   -3.9412
 2     -6.4960   -7.0548        9.3514    9.3481        6.6075    6.3199
 3      3.2996    3.9412       -7.9941   -8.4087      -10.0974   -9.3481
 4     -9.3799   -9.3481        0.5854    0.0000        3.8946    3.9412
 5      1.2168    2.0888       -4.2897   -3.9412        6.9968    7.0548
 6      9.7980    9.3481       -6.7668   -7.0548        0.1254    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.5792  -17.7855       24.9298   24.7348       14.1489   14.0857
 2    -27.4343  -26.9551       32.1149   31.9216       14.0714   14.0857
 3    -26.7585  -26.9551       25.5647   24.7348       15.1837   15.1469
 4     -6.3035   -7.1868        9.7751    9.1697       -5.7003   -6.2424
 5      0.3697    1.0612        0.4660   -0.1873       -9.8608   -9.1697
 6      5.4500    6.4297       -1.0239   -1.0612        6.6316    7.1868
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.2126  -11.2057   -0.0006   -0.0002    0.0001    3.8994
 Low frequencies ---  126.9817  176.3350  201.2294
 Diagonal vibrational polarizability:
        1.2012686       1.1302383       1.1523327
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    126.9788               176.3320               201.2291
 Red. masses --      2.1940                 1.7878                 1.3296
 Frc consts  --      0.0208                 0.0328                 0.0317
 IR Inten    --      0.0066                 0.0218                 0.0116
 RamAct Fr= 1--      0.2956                 0.4860                 0.1308
  Dep-P Fr= 1--      0.6952                 0.7443                 0.6769
  Dep-U Fr= 1--      0.8202                 0.8534                 0.8073
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0404                 0.0691                 0.0176
 AlphaG Fr= 1--     -0.0009                 0.0005                 0.0003
 Gamma2 Fr= 1--     -0.1052                -0.0275                -0.0142
 Delta2 Fr= 1--      0.0656                -0.0828                -0.0378
 Raman1 Fr= 1--       1.182                  1.944                  0.523
 ROA1   Fr= 1--      -7.998                 -5.286                 -2.576
 CID1   Fr= 1--      -6.764                 -2.719                 -4.924
 Raman2 Fr= 1--       0.485                  0.830                  0.211
 ROA2   Fr= 1--      -3.049                  0.003                 -0.039
 CID2   Fr= 1--      -6.288                  0.003                 -0.184
 Raman3 Fr= 1--       0.970                  1.659                  0.422
 ROA3   Fr= 1--      -7.998                 -5.286                 -2.576
 CID3   Fr= 1--      -8.247                 -3.186                 -6.100
 RC180  Fr= 1--       0.640                  0.707                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.20    -0.05   0.00  -0.07     0.02  -0.02   0.02
     2   6     0.00  -0.05   0.02    -0.05   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.01  -0.02  -0.03    -0.00  -0.01   0.07     0.01  -0.00   0.00
     4   6    -0.02  -0.04  -0.04    -0.01  -0.01   0.04     0.02   0.01  -0.01
     5   6    -0.00   0.01  -0.00     0.02   0.00   0.02    -0.01   0.00  -0.02
     6   6     0.01  -0.03   0.04    -0.01   0.01   0.08    -0.00   0.01  -0.06
     7   6    -0.05  -0.06   0.02    -0.02  -0.02   0.06     0.02   0.04  -0.04
     8   1     0.31  -0.04   0.35    -0.18   0.03  -0.15     0.05  -0.03   0.05
     9   6    -0.01   0.05  -0.18    -0.01  -0.01  -0.10    -0.00  -0.02   0.06
    10   1    -0.07  -0.20   0.02    -0.13   0.06   0.02     0.07  -0.04  -0.03
    11   1    -0.04  -0.06  -0.08    -0.03  -0.00   0.02     0.03   0.03   0.01
    12   6    -0.01   0.10  -0.03     0.15   0.06  -0.01    -0.04   0.06  -0.03
    13   6     0.01   0.01   0.02    -0.03  -0.04  -0.05    -0.03  -0.06   0.06
    14   1     0.03  -0.03   0.06    -0.02   0.01   0.10     0.01   0.01  -0.09
    15   1    -0.08  -0.07  -0.00    -0.02  -0.03   0.06     0.02   0.04  -0.04
    16   1    -0.08  -0.07   0.06    -0.02  -0.04   0.06     0.03   0.07  -0.05
    17   1    -0.06   0.03  -0.04     0.05  -0.21   0.13    -0.15  -0.14   0.01
    18   1    -0.07   0.20  -0.08    -0.03   0.35  -0.19    -0.19   0.29  -0.09
    19   1     0.10   0.15   0.02     0.56   0.12  -0.03     0.22   0.12  -0.01
    20   1     0.00  -0.03   0.03    -0.05   0.04  -0.07     0.17   0.27  -0.05
    21   1     0.03   0.04   0.06    -0.08  -0.10  -0.12    -0.34  -0.28  -0.18
    22   1    -0.00   0.03  -0.01     0.01  -0.11  -0.00     0.06  -0.26   0.47
    23   1    -0.12   0.13   0.38     0.06  -0.04  -0.18    -0.01   0.01   0.05
    24   1    -0.09  -0.10  -0.09     0.07   0.08   0.14    -0.01  -0.01   0.00
    25   1     0.09   0.09  -0.14    -0.02  -0.12   0.15     0.01   0.01  -0.01
    26   1     0.07   0.23  -0.19     0.15  -0.09  -0.13    -0.13   0.04   0.09
    27   1    -0.03   0.01  -0.18    -0.08   0.03  -0.25     0.05  -0.08   0.19
    28   1    -0.08   0.00  -0.34    -0.04   0.01  -0.00     0.06  -0.04  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    214.0535               230.2849               260.6062
 Red. masses --      1.9155                 1.3070                 1.1319
 Frc consts  --      0.0517                 0.0408                 0.0453
 IR Inten    --      0.0129                 0.0275                 0.0123
 RamAct Fr= 1--      0.3494                 0.3574                 0.0700
  Dep-P Fr= 1--      0.7146                 0.6311                 0.2461
  Dep-U Fr= 1--      0.8336                 0.7738                 0.3950
 Alpha2 Fr= 1--      0.0002                 0.0008                 0.0008
 Beta2  Fr= 1--      0.0485                 0.0461                 0.0046
 AlphaG Fr= 1--      0.0012                 0.0056                 0.0002
 Gamma2 Fr= 1--     -0.0937                -0.0737                -0.0286
 Delta2 Fr= 1--     -0.0101                -0.1106                 0.0098
 Raman1 Fr= 1--       1.398                  1.430                  0.280
 ROA1   Fr= 1--      -9.322                -10.617                 -2.434
 CID1   Fr= 1--      -6.670                 -7.427                 -8.690
 Raman2 Fr= 1--       0.582                  0.553                  0.055
 ROA2   Fr= 1--      -2.169                 -0.884                 -0.765
 CID2   Fr= 1--      -3.723                 -1.599                -13.823
 Raman3 Fr= 1--       1.165                  1.106                  0.111
 ROA3   Fr= 1--      -9.322                -10.617                 -2.434
 CID3   Fr= 1--      -8.002                 -9.598                -22.000
 RC180  Fr= 1--       0.667                  0.548                 -0.210
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.02   0.02   0.01     0.03  -0.01   0.03
     2   6    -0.00   0.01   0.00     0.01   0.03   0.03     0.02  -0.02   0.00
     3   6     0.02  -0.02  -0.01    -0.03   0.02  -0.05     0.02   0.00   0.02
     4   6    -0.02  -0.05  -0.01    -0.01   0.01  -0.01     0.00   0.01  -0.01
     5   6    -0.00  -0.03   0.00     0.01   0.03   0.01    -0.01  -0.01  -0.02
     6   6     0.00  -0.06   0.02     0.01   0.03   0.06    -0.00  -0.00  -0.03
     7   6    -0.01  -0.08   0.01    -0.03  -0.02   0.03    -0.01   0.03  -0.02
     8   1    -0.00   0.02  -0.04     0.03   0.04   0.03     0.05  -0.03   0.06
     9   6    -0.06   0.09   0.02     0.07  -0.03  -0.05     0.01  -0.01   0.02
    10   1    -0.03   0.02   0.01    -0.03   0.04   0.04     0.04  -0.03  -0.01
    11   1    -0.01  -0.08  -0.03    -0.03   0.01  -0.04     0.01   0.00  -0.00
    12   6    -0.04  -0.09   0.03     0.02  -0.04   0.02    -0.05   0.02  -0.02
    13   6     0.10   0.17  -0.04    -0.03  -0.02  -0.03    -0.00  -0.01   0.02
    14   1    -0.02  -0.06   0.05     0.02   0.03   0.09    -0.00  -0.00  -0.07
    15   1    -0.00  -0.09   0.02    -0.05  -0.03   0.03    -0.02   0.04  -0.04
    16   1    -0.02  -0.11   0.01    -0.04  -0.03   0.06    -0.02   0.05  -0.01
    17   1    -0.14  -0.28   0.09     0.14   0.19  -0.03    -0.10  -0.04  -0.03
    18   1    -0.16   0.07   0.06     0.20  -0.30   0.11    -0.10   0.09  -0.02
    19   1     0.14  -0.11  -0.05    -0.29  -0.10   0.01     0.01   0.04  -0.01
    20   1     0.28   0.51  -0.15     0.09   0.32  -0.13    -0.01  -0.08   0.04
    21   1     0.11   0.00  -0.30    -0.27  -0.24  -0.28     0.02   0.03   0.07
    22   1     0.02   0.23   0.27     0.05  -0.20   0.31    -0.01   0.01  -0.03
    23   1     0.04  -0.00  -0.04    -0.05   0.01   0.05     0.01   0.01   0.05
    24   1     0.05   0.01   0.01    -0.05  -0.03  -0.10     0.01   0.01   0.04
    25   1     0.05  -0.06  -0.00    -0.04   0.09  -0.09     0.04  -0.01   0.02
    26   1    -0.04   0.05   0.02     0.23  -0.15  -0.09     0.31  -0.47  -0.06
    27   1    -0.03   0.22  -0.02    -0.02  -0.01  -0.22    -0.08   0.33  -0.40
    28   1    -0.18   0.10   0.09     0.06  -0.00   0.07    -0.20   0.10   0.52
                      7                      8                      9
                      A                      A                      A
 Frequencies --    302.5084               311.9920               384.4003
 Red. masses --      2.0979                 1.7307                 2.4166
 Frc consts  --      0.1131                 0.0993                 0.2104
 IR Inten    --      0.0053                 0.0033                 0.0539
 RamAct Fr= 1--      0.8964                 0.6417                 1.8179
  Dep-P Fr= 1--      0.3100                 0.2566                 0.4653
  Dep-U Fr= 1--      0.4733                 0.4084                 0.6351
 Alpha2 Fr= 1--      0.0089                 0.0075                 0.0105
 Beta2  Fr= 1--      0.0707                 0.0437                 0.1924
 AlphaG Fr= 1--     -0.0144                 0.0170                 0.0011
 Gamma2 Fr= 1--      0.0180                -0.0381                -0.4606
 Delta2 Fr= 1--      0.1024                -0.1156                -0.2152
 Raman1 Fr= 1--       3.586                  2.567                  7.272
 ROA1   Fr= 1--       5.003                 -7.357                -51.110
 CID1   Fr= 1--       1.395                 -2.866                 -7.029
 Raman2 Fr= 1--       0.849                  0.524                  2.309
 ROA2   Fr= 1--      -0.387                  0.011                 -9.333
 CID2   Fr= 1--      -0.456                  0.021                 -4.042
 Raman3 Fr= 1--       1.697                  1.048                  4.618
 ROA3   Fr= 1--       5.003                 -7.357                -51.110
 CID3   Fr= 1--       2.948                 -7.017                -11.067
 RC180  Fr= 1--      -0.053                 -0.183                  0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02     0.03  -0.03  -0.03    -0.07   0.02   0.02
     2   6     0.02   0.08   0.03     0.01  -0.02   0.01     0.03   0.04   0.01
     3   6     0.09   0.04   0.01     0.07  -0.03   0.15    -0.10   0.02   0.01
     4   6    -0.01  -0.02  -0.04    -0.03  -0.01  -0.05    -0.10   0.04  -0.09
     5   6    -0.03  -0.01  -0.01     0.01   0.01  -0.05     0.03   0.04  -0.08
     6   6    -0.02   0.02   0.04     0.01  -0.02   0.00     0.02   0.03  -0.02
     7   6    -0.10  -0.02   0.02    -0.07  -0.03  -0.00    -0.06  -0.02  -0.04
     8   1     0.03   0.13  -0.04    -0.15  -0.02  -0.13    -0.08  -0.00   0.03
     9   6     0.16  -0.10  -0.02    -0.00   0.02  -0.02     0.04   0.06  -0.01
    10   1    -0.01   0.11   0.04    -0.00  -0.01   0.02     0.04   0.04   0.01
    11   1     0.00  -0.09  -0.10    -0.07  -0.02  -0.11    -0.18   0.09  -0.17
    12   6    -0.13  -0.06   0.01    -0.05   0.10  -0.06     0.08  -0.12  -0.05
    13   6    -0.02   0.01  -0.01     0.03   0.01   0.03     0.10  -0.05   0.19
    14   1    -0.07   0.02   0.08     0.03  -0.02   0.02     0.01   0.03   0.01
    15   1    -0.16  -0.04  -0.02    -0.08  -0.02  -0.02     0.00  -0.01  -0.00
    16   1    -0.13  -0.01   0.08    -0.10  -0.07   0.02    -0.08  -0.12  -0.06
    17   1    -0.27  -0.32   0.05     0.07   0.37  -0.20     0.08  -0.26   0.13
    18   1    -0.30   0.16   0.09     0.12  -0.15  -0.02     0.06  -0.10   0.00
    19   1     0.09  -0.08  -0.07    -0.38   0.11   0.04     0.20  -0.23  -0.23
    20   1    -0.07  -0.07   0.02     0.12   0.07   0.01     0.30  -0.24   0.23
    21   1     0.05   0.06   0.05    -0.05  -0.03  -0.00    -0.06   0.07   0.40
    22   1    -0.05   0.06  -0.10     0.03  -0.01   0.15     0.10  -0.06   0.27
    23   1     0.07   0.10  -0.04     0.18  -0.06  -0.17    -0.08  -0.02   0.03
    24   1     0.13   0.12   0.07     0.13   0.18   0.36    -0.11   0.09   0.09
    25   1     0.15  -0.06   0.04     0.14  -0.28   0.27    -0.04  -0.06   0.04
    26   1     0.15  -0.07  -0.02    -0.01   0.09  -0.02     0.06   0.08  -0.01
    27   1     0.06  -0.36   0.02     0.01   0.01   0.01     0.03   0.08  -0.03
    28   1     0.42  -0.10  -0.11    -0.03  -0.00  -0.09     0.00   0.05  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.0107               430.4381               451.9905
 Red. masses --      2.2832                 2.0798                 2.9778
 Frc consts  --      0.2046                 0.2270                 0.3584
 IR Inten    --      0.0136                 0.2588                 0.0651
 RamAct Fr= 1--      2.0176                 0.2510                 1.3226
  Dep-P Fr= 1--      0.1807                 0.7388                 0.7434
  Dep-U Fr= 1--      0.3061                 0.8498                 0.8528
 Alpha2 Fr= 1--      0.0288                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1029                 0.0355                 0.1880
 AlphaG Fr= 1--      0.0075                -0.0001                -0.0010
 Gamma2 Fr= 1--      0.5617                 0.0636                 0.0854
 Delta2 Fr= 1--      0.2358                 0.0097                 0.0208
 Raman1 Fr= 1--       8.070                  1.004                  5.290
 ROA1   Fr= 1--      61.464                  6.415                  8.862
 CID1   Fr= 1--       7.616                  6.391                  1.675
 Raman2 Fr= 1--       1.235                  0.427                  2.256
 ROA2   Fr= 1--      11.594                  1.449                  1.883
 CID2   Fr= 1--       9.386                  3.397                  0.835
 Raman3 Fr= 1--       2.471                  0.853                  4.512
 ROA3   Fr= 1--      61.464                  6.415                  8.862
 CID3   Fr= 1--      24.878                  7.521                  1.964
 RC180  Fr= 1--      -0.388                  0.700                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09  -0.04    -0.02   0.06   0.08    -0.14   0.07   0.04
     2   6     0.13  -0.04   0.05    -0.03   0.04  -0.05    -0.01   0.11   0.05
     3   6    -0.07   0.02   0.00     0.00  -0.00   0.07    -0.11  -0.02   0.05
     4   6    -0.04   0.06  -0.01    -0.04   0.02  -0.06    -0.01  -0.03   0.10
     5   6     0.03   0.07  -0.00    -0.03   0.07  -0.01     0.08  -0.14  -0.05
     6   6     0.11  -0.01   0.04     0.01   0.02   0.01    -0.02  -0.00   0.01
     7   6     0.02  -0.03   0.03     0.18  -0.14  -0.06     0.07  -0.00   0.02
     8   1    -0.15  -0.09  -0.13     0.08   0.01   0.17    -0.13   0.07   0.05
     9   6     0.06   0.14  -0.01    -0.01  -0.03   0.02     0.07   0.05  -0.00
    10   1     0.10  -0.04   0.05    -0.01   0.01  -0.06    -0.01   0.12   0.05
    11   1    -0.08   0.08  -0.05    -0.06   0.07  -0.03    -0.04   0.07   0.15
    12   6    -0.11  -0.02   0.03    -0.01  -0.00   0.00    -0.10   0.03  -0.12
    13   6    -0.08  -0.06  -0.08    -0.08   0.01  -0.04     0.17  -0.10  -0.08
    14   1     0.19  -0.01   0.09     0.03   0.02   0.15    -0.20  -0.01  -0.00
    15   1     0.05   0.02   0.02     0.42  -0.17   0.18     0.19  -0.01   0.13
    16   1    -0.01  -0.13   0.04     0.26  -0.34  -0.33     0.14  -0.02  -0.12
    17   1    -0.24  -0.19   0.00     0.00  -0.03   0.06    -0.21   0.08  -0.40
    18   1    -0.22   0.11   0.19     0.01  -0.04   0.05    -0.17   0.13  -0.09
    19   1    -0.04  -0.06  -0.04    -0.02  -0.06  -0.08    -0.18   0.18   0.12
    20   1    -0.26  -0.11  -0.05    -0.11  -0.00  -0.03     0.22  -0.07  -0.09
    21   1    -0.17  -0.07  -0.06    -0.12   0.01  -0.04     0.23  -0.10  -0.10
    22   1     0.04  -0.21  -0.21    -0.04  -0.04  -0.07     0.12  -0.03  -0.04
    23   1     0.10  -0.26  -0.13    -0.08   0.18   0.13    -0.15   0.03   0.05
    24   1    -0.13   0.02   0.02     0.03   0.16   0.24    -0.03  -0.10  -0.06
    25   1    -0.09   0.02   0.01     0.12  -0.19   0.13    -0.17   0.08   0.02
    26   1     0.10   0.29  -0.00    -0.05  -0.13   0.02     0.14   0.08  -0.02
    27   1     0.13   0.27   0.00    -0.02  -0.04   0.02     0.01  -0.02  -0.05
    28   1    -0.14   0.10  -0.10     0.06   0.00   0.10     0.12   0.05  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.0596               526.2842               578.5710
 Red. masses --      3.0696                 2.5742                 3.0690
 Frc consts  --      0.4203                 0.4201                 0.6053
 IR Inten    --      0.3693                 0.2430                 0.7191
 RamAct Fr= 1--      4.0890                 1.3390                 1.8360
  Dep-P Fr= 1--      0.1484                 0.1628                 0.6643
  Dep-U Fr= 1--      0.2584                 0.2800                 0.7983
 Alpha2 Fr= 1--      0.0635                 0.0200                 0.0028
 Beta2  Fr= 1--      0.1761                 0.0625                 0.2443
 AlphaG Fr= 1--      0.0257                 0.0023                 0.0007
 Gamma2 Fr= 1--      0.2444                -0.1984                 0.1023
 Delta2 Fr= 1--      0.1563                -0.1225                 0.0773
 Raman1 Fr= 1--      16.356                  5.356                  7.344
 ROA1   Fr= 1--      28.467                -22.965                 12.290
 CID1   Fr= 1--       1.740                 -4.288                  1.674
 Raman2 Fr= 1--       2.113                  0.750                  2.931
 ROA2   Fr= 1--       4.616                 -3.781                  1.836
 CID2   Fr= 1--       2.185                 -5.042                  0.626
 Raman3 Fr= 1--       4.226                  1.500                  5.862
 ROA3   Fr= 1--      28.467                -22.965                 12.290
 CID3   Fr= 1--       6.736                -15.312                  2.096
 RC180  Fr= 1--      -0.483                 -0.440                  0.597
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01     0.02  -0.09   0.03     0.12   0.02  -0.01
     2   6     0.13   0.04  -0.02    -0.04  -0.01   0.23    -0.01  -0.08   0.03
     3   6    -0.04   0.03   0.02     0.03  -0.11  -0.03     0.04   0.25   0.00
     4   6    -0.10  -0.06   0.10     0.09  -0.00  -0.05    -0.05   0.11   0.08
     5   6    -0.17  -0.12   0.05    -0.06   0.02  -0.05    -0.05  -0.03  -0.06
     6   6    -0.05  -0.10  -0.11    -0.12   0.10   0.03    -0.00  -0.10   0.05
     7   6     0.00  -0.04  -0.06     0.08   0.06  -0.05     0.03  -0.02   0.13
     8   1    -0.06  -0.06  -0.01    -0.13   0.14  -0.18    -0.09  -0.01  -0.11
     9   6     0.18   0.10  -0.00     0.02   0.01  -0.01    -0.08  -0.07  -0.01
    10   1     0.24   0.04  -0.05    -0.01  -0.06   0.21    -0.09  -0.09   0.04
    11   1     0.01  -0.11   0.20     0.12   0.04   0.04     0.01  -0.03   0.02
    12   6     0.06   0.02   0.00    -0.01  -0.03  -0.07    -0.01  -0.05  -0.17
    13   6    -0.12   0.07   0.05    -0.05   0.06   0.02    -0.01  -0.00   0.01
    14   1    -0.16  -0.11  -0.11    -0.11   0.10  -0.05     0.05  -0.10   0.03
    15   1     0.11   0.07  -0.04     0.13  -0.17   0.18     0.27   0.08   0.27
    16   1     0.03  -0.07  -0.13     0.24   0.15  -0.29     0.08  -0.23  -0.07
    17   1     0.23   0.20   0.12     0.03  -0.05   0.02    -0.00  -0.02  -0.18
    18   1     0.15  -0.05  -0.36     0.01  -0.05  -0.09    -0.01  -0.04  -0.24
    19   1     0.15   0.13   0.14     0.03  -0.08  -0.15     0.01  -0.02  -0.14
    20   1    -0.04   0.13   0.03     0.06   0.04   0.02     0.15  -0.08   0.03
    21   1    -0.01   0.05   0.00    -0.01   0.08   0.05    -0.07   0.05   0.11
    22   1    -0.21   0.18   0.12    -0.12   0.14   0.08    -0.04   0.03   0.11
    23   1     0.03  -0.06  -0.03     0.16  -0.30  -0.11     0.25  -0.07  -0.14
    24   1    -0.00   0.01  -0.02    -0.06  -0.13  -0.02    -0.08   0.07  -0.15
    25   1    -0.03   0.05   0.00     0.03  -0.06  -0.05    -0.01   0.45  -0.10
    26   1     0.24   0.13  -0.01     0.29   0.18  -0.05    -0.08  -0.07  -0.01
    27   1     0.15   0.08  -0.04    -0.12  -0.08  -0.17    -0.08  -0.09   0.00
    28   1     0.18   0.09  -0.04    -0.02  -0.03  -0.17    -0.07  -0.07  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    667.8785               786.9762               790.2816
 Red. masses --      2.6108                 2.1724                 1.8277
 Frc consts  --      0.6861                 0.7927                 0.6725
 IR Inten    --      0.1234                 0.8280                 0.4148
 RamAct Fr= 1--     15.6281                 6.4183                 6.0422
  Dep-P Fr= 1--      0.0087                 0.0786                 0.1168
  Dep-U Fr= 1--      0.0172                 0.1457                 0.2091
 Alpha2 Fr= 1--      0.3403                 0.1184                 0.1015
 Beta2  Fr= 1--      0.0449                 0.1558                 0.2106
 AlphaG Fr= 1--     -0.0043                 0.0051                -0.1655
 Gamma2 Fr= 1--      0.1239                 0.2372                -2.1928
 Delta2 Fr= 1--      0.0628                 0.1709                -1.5450
 Raman1 Fr= 1--      62.512                 25.673                 24.169
 ROA1   Fr= 1--      13.908                 28.238               -259.948
 CID1   Fr= 1--       0.222                  1.100                -10.756
 Raman2 Fr= 1--       0.538                  1.870                  2.527
 ROA2   Fr= 1--       2.472                  4.326                -40.268
 CID2   Fr= 1--       4.592                  2.313                -15.935
 Raman3 Fr= 1--       1.077                  3.740                  5.054
 ROA3   Fr= 1--      13.908                 28.238               -259.948
 CID3   Fr= 1--      12.916                  7.551                -51.434
 RC180  Fr= 1--      -0.966                 -0.709                 -0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01   0.04     0.06  -0.12  -0.07    -0.09   0.06  -0.05
     2   6    -0.01  -0.02   0.08     0.01  -0.01  -0.09     0.01  -0.07   0.11
     3   6    -0.00   0.12  -0.01    -0.02  -0.02  -0.04    -0.02   0.09  -0.08
     4   6    -0.10   0.03  -0.08    -0.01   0.08  -0.07     0.03   0.04  -0.08
     5   6     0.03  -0.04   0.05    -0.03  -0.04   0.01    -0.03  -0.06   0.02
     6   6    -0.09  -0.00  -0.09    -0.12   0.06   0.03     0.05  -0.08   0.02
     7   6    -0.03  -0.01  -0.09    -0.02   0.05   0.17     0.06   0.04  -0.01
     8   1    -0.19   0.09  -0.14     0.37  -0.23   0.15     0.20   0.08   0.09
     9   6    -0.04  -0.03  -0.00     0.07   0.04  -0.01    -0.02  -0.03   0.03
    10   1     0.07  -0.11   0.05    -0.04   0.04  -0.07     0.04   0.05   0.12
    11   1    -0.13  -0.01  -0.18    -0.05   0.01  -0.21     0.11  -0.05  -0.05
    12   6     0.03   0.05   0.21    -0.00  -0.00   0.02    -0.01  -0.02   0.01
    13   6     0.11  -0.07  -0.05     0.03  -0.03  -0.02    -0.01  -0.01   0.01
    14   1    -0.17  -0.01  -0.21    -0.20   0.06  -0.14     0.11  -0.08  -0.04
    15   1     0.16  -0.02   0.09     0.13  -0.13   0.45    -0.04   0.07  -0.12
    16   1     0.06  -0.13  -0.32     0.11  -0.05  -0.13     0.02   0.11   0.11
    17   1     0.01   0.07   0.15     0.01   0.03   0.01     0.03   0.05  -0.00
    18   1     0.01   0.08   0.19    -0.00   0.01  -0.05    -0.00  -0.00  -0.14
    19   1     0.03   0.10   0.30     0.01   0.04   0.08     0.03   0.06   0.11
    20   1     0.03  -0.02  -0.06     0.10   0.00  -0.03    -0.02   0.03  -0.01
    21   1     0.18  -0.12  -0.12     0.14  -0.03  -0.04     0.07  -0.03  -0.04
    22   1     0.13  -0.09  -0.11    -0.05   0.07   0.01    -0.05   0.05   0.00
    23   1     0.23  -0.17  -0.14    -0.18   0.06   0.17    -0.32   0.06   0.16
    24   1    -0.13   0.10   0.01    -0.05   0.15   0.16     0.16   0.44   0.24
    25   1     0.11   0.13  -0.08    -0.09  -0.21   0.11    -0.01  -0.34   0.18
    26   1     0.09   0.01  -0.03    -0.07  -0.03   0.02     0.18   0.17  -0.01
    27   1    -0.12  -0.11  -0.09     0.15   0.09   0.09    -0.08   0.01  -0.10
    28   1    -0.01  -0.05  -0.06     0.09   0.06   0.07    -0.21  -0.10  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    831.0843               862.9291               888.2313
 Red. masses --      2.2147                 2.3821                 2.1386
 Frc consts  --      0.9013                 1.0451                 0.9941
 IR Inten    --      0.5753                 0.6841                 0.7077
 RamAct Fr= 1--      2.6447                 8.2259                 4.0154
  Dep-P Fr= 1--      0.1097                 0.6477                 0.2581
  Dep-U Fr= 1--      0.1976                 0.7862                 0.4103
 Alpha2 Fr= 1--      0.0452                 0.0151                 0.0465
 Beta2  Fr= 1--      0.0871                 1.0778                 0.2746
 AlphaG Fr= 1--      0.0412                 0.1211                 0.0311
 Gamma2 Fr= 1--     -0.0016                 5.6378                -2.3308
 Delta2 Fr= 1--      0.1411                 2.6705                -0.8246
 Raman1 Fr= 1--      10.579                 32.904                 16.062
 ROA1   Fr= 1--       4.360                626.685               -250.144
 CID1   Fr= 1--       0.412                 19.046                -15.574
 Raman2 Fr= 1--       1.045                 12.934                  3.295
 ROA2   Fr= 1--      -1.167                113.944                -49.343
 CID2   Fr= 1--      -1.117                  8.810                -14.974
 Raman3 Fr= 1--       2.091                 25.868                  6.590
 ROA3   Fr= 1--       4.360                626.685               -250.144
 CID3   Fr= 1--       2.085                 24.226                -37.955
 RC180  Fr= 1--      -0.605                  0.572                 -0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05   0.07     0.11  -0.02   0.02    -0.12   0.09   0.08
     2   6     0.02  -0.00  -0.05    -0.03   0.07  -0.01     0.04  -0.04  -0.03
     3   6    -0.03   0.13   0.04    -0.04  -0.08  -0.01     0.05  -0.04  -0.01
     4   6     0.16   0.05  -0.08    -0.12   0.03  -0.07    -0.04  -0.06  -0.10
     5   6    -0.04  -0.08   0.03    -0.05  -0.11   0.04     0.05  -0.05   0.03
     6   6     0.01   0.13   0.02     0.12   0.03   0.14     0.05   0.03  -0.05
     7   6    -0.01  -0.11  -0.05     0.05   0.11  -0.08     0.04   0.07   0.15
     8   1    -0.29  -0.14   0.00     0.04   0.07  -0.07    -0.38   0.15  -0.09
     9   6     0.01   0.00  -0.02    -0.04   0.01  -0.03     0.02  -0.03  -0.02
    10   1     0.01  -0.12  -0.06    -0.20   0.05   0.02     0.05  -0.17  -0.04
    11   1     0.26  -0.00   0.01    -0.18   0.12  -0.07    -0.20  -0.10  -0.38
    12   6    -0.01  -0.03  -0.00    -0.02  -0.05  -0.00     0.01  -0.03  -0.02
    13   6    -0.01  -0.03   0.01    -0.01  -0.04   0.01    -0.07   0.03   0.04
    14   1    -0.01   0.13   0.14     0.17   0.03   0.35    -0.01   0.03  -0.28
    15   1    -0.30  -0.38  -0.11     0.09   0.33  -0.20     0.13   0.09   0.22
    16   1    -0.09  -0.03   0.15    -0.02   0.07   0.03     0.08   0.00   0.04
    17   1     0.03   0.05  -0.04     0.03   0.08  -0.06    -0.02  -0.00  -0.12
    18   1    -0.01   0.00  -0.19    -0.02   0.00  -0.27    -0.01   0.01  -0.05
    19   1     0.05   0.08   0.14     0.06   0.11   0.21     0.00   0.03   0.07
    20   1     0.03   0.10  -0.03     0.05   0.06  -0.02    -0.15   0.12   0.02
    21   1     0.24  -0.05  -0.07     0.22  -0.06  -0.06     0.04  -0.01  -0.05
    22   1    -0.17   0.18   0.03    -0.15   0.15   0.05    -0.10   0.08  -0.01
    23   1     0.06  -0.14  -0.05     0.18  -0.04  -0.05     0.11  -0.05  -0.15
    24   1    -0.20   0.09   0.07    -0.19  -0.06   0.06     0.08  -0.10  -0.09
    25   1    -0.05   0.18   0.02     0.09  -0.09  -0.08     0.23   0.02  -0.15
    26   1    -0.14  -0.06   0.01    -0.17  -0.16  -0.00    -0.14  -0.01   0.01
    27   1     0.12   0.10   0.08    -0.02  -0.08   0.07     0.17   0.17   0.08
    28   1    -0.03   0.02   0.07     0.15   0.06   0.11    -0.17  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    906.5927               931.4419               952.0107
 Red. masses --      2.1038                 2.0777                 1.5605
 Frc consts  --      1.0188                 1.0620                 0.8333
 IR Inten    --      0.3266                 0.2165                 0.9709
 RamAct Fr= 1--      1.1176                 4.7781                 4.2103
  Dep-P Fr= 1--      0.7500                 0.4205                 0.7164
  Dep-U Fr= 1--      0.8571                 0.5920                 0.8348
 Alpha2 Fr= 1--      0.0000                 0.0328                 0.0024
 Beta2  Fr= 1--      0.1597                 0.4715                 0.5858
 AlphaG Fr= 1--      0.0000                -0.0244                -0.0001
 Gamma2 Fr= 1--      0.1427                -4.1863                -0.0842
 Delta2 Fr= 1--     -0.2113                -2.4736                 0.1163
 Raman1 Fr= 1--       4.471                 19.112                 16.841
 ROA1   Fr= 1--       6.937               -481.044                 -4.360
 CID1   Fr= 1--       1.552                -25.169                 -0.259
 Raman2 Fr= 1--       1.916                  5.658                  7.030
 ROA2   Fr= 1--       5.114                -80.683                 -2.950
 CID2   Fr= 1--       2.669                -14.261                 -0.420
 Raman3 Fr= 1--       3.832                 11.315                 14.059
 ROA3   Fr= 1--       6.937               -481.044                 -4.360
 CID3   Fr= 1--       1.810                -42.513                 -0.310
 RC180  Fr= 1--       0.714                  0.184                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05    -0.07  -0.04   0.04     0.01   0.03   0.03
     2   6     0.07  -0.09   0.01    -0.03  -0.04  -0.04     0.01  -0.00  -0.00
     3   6     0.05   0.01  -0.02     0.02   0.10  -0.00    -0.01  -0.03  -0.03
     4   6    -0.07  -0.05   0.09    -0.00  -0.10  -0.04    -0.01  -0.00   0.01
     5   6    -0.04  -0.00   0.00    -0.03   0.04  -0.02    -0.09   0.05   0.04
     6   6     0.03   0.16   0.08    -0.08  -0.11   0.12     0.00   0.02  -0.03
     7   6    -0.10   0.02  -0.10     0.05   0.09  -0.05     0.02  -0.01   0.05
     8   1     0.11   0.01   0.04    -0.21  -0.19   0.05    -0.07   0.11  -0.06
     9   6     0.02  -0.07  -0.02     0.08   0.04  -0.02    -0.00  -0.00  -0.01
    10   1     0.01  -0.05   0.02    -0.21  -0.07  -0.00     0.05  -0.09  -0.02
    11   1     0.01  -0.06   0.20     0.07  -0.25  -0.09     0.02   0.02   0.08
    12   6    -0.01  -0.00   0.00     0.01   0.06   0.01    -0.11   0.03  -0.04
    13   6     0.02  -0.03  -0.02     0.03  -0.02  -0.03     0.11  -0.04   0.01
    14   1     0.17   0.16   0.17    -0.05  -0.12   0.28     0.03   0.02  -0.04
    15   1     0.16  -0.07   0.21     0.04   0.12  -0.09    -0.05  -0.03   0.01
    16   1     0.02  -0.10  -0.39     0.19   0.43  -0.12    -0.01  -0.00   0.12
    17   1     0.01   0.01   0.02    -0.01  -0.08   0.15     0.20   0.09   0.52
    18   1    -0.00  -0.01  -0.04     0.05  -0.04   0.23     0.11  -0.21  -0.36
    19   1     0.01   0.01   0.02    -0.06  -0.13  -0.25     0.15  -0.12  -0.33
    20   1     0.14  -0.04  -0.03     0.11  -0.05  -0.02    -0.17   0.07  -0.01
    21   1     0.07  -0.00   0.01     0.01   0.00   0.01     0.15  -0.16  -0.16
    22   1    -0.04   0.04   0.04     0.02  -0.01   0.02     0.21  -0.15  -0.19
    23   1    -0.12   0.07   0.04    -0.01  -0.05  -0.02     0.07  -0.06  -0.04
    24   1     0.28  -0.00  -0.11     0.01   0.10   0.01     0.01   0.03   0.02
    25   1     0.02  -0.01   0.01     0.12   0.05  -0.03     0.06  -0.10  -0.02
    26   1    -0.12   0.11   0.02    -0.12  -0.06   0.02    -0.05  -0.03  -0.00
    27   1     0.25   0.30   0.09     0.21   0.12   0.14     0.02   0.01   0.02
    28   1    -0.41  -0.12  -0.04     0.10   0.08   0.13    -0.00   0.00   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    966.3209               969.1494              1011.2833
 Red. masses --      1.5736                 1.6870                 1.5167
 Frc consts  --      0.8658                 0.9335                 0.9139
 IR Inten    --      1.5741                 0.5026                 0.0983
 RamAct Fr= 1--      2.0503                 1.6751                 1.3293
  Dep-P Fr= 1--      0.5092                 0.7001                 0.4866
  Dep-U Fr= 1--      0.6748                 0.8236                 0.6547
 Alpha2 Fr= 1--      0.0097                 0.0015                 0.0070
 Beta2  Fr= 1--      0.2306                 0.2299                 0.1450
 AlphaG Fr= 1--      0.0103                -0.0022                 0.0075
 Gamma2 Fr= 1--     -1.6966                 2.3285                -0.6727
 Delta2 Fr= 1--     -1.3613                 1.9274                 0.0980
 Raman1 Fr= 1--       8.201                  6.700                  5.317
 ROA1   Fr= 1--    -206.431                285.214                -61.443
 CID1   Fr= 1--     -25.171                 42.567                -11.556
 Raman2 Fr= 1--       2.767                  2.759                  1.741
 ROA2   Fr= 1--     -29.827                 40.466                -16.928
 CID2   Fr= 1--     -10.779                 14.666                 -9.726
 Raman3 Fr= 1--       5.534                  5.518                  3.481
 ROA3   Fr= 1--    -206.431                285.214                -61.443
 CID3   Fr= 1--     -37.301                 51.685                -17.651
 RC180  Fr= 1--       0.350                  0.647                  0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03    -0.00   0.07   0.03     0.07   0.06  -0.02
     2   6    -0.04   0.01  -0.01     0.01  -0.02   0.00     0.06   0.01  -0.03
     3   6     0.09  -0.02   0.08    -0.01  -0.06  -0.03    -0.07  -0.01   0.03
     4   6     0.04   0.05  -0.05     0.02   0.05   0.01    -0.02  -0.03  -0.00
     5   6    -0.05  -0.00  -0.05    -0.09   0.01  -0.10    -0.01  -0.00   0.00
     6   6     0.04  -0.03  -0.00     0.01  -0.02  -0.01    -0.04   0.01  -0.00
     7   6    -0.02   0.02   0.01     0.03  -0.02   0.06     0.05  -0.01   0.02
     8   1    -0.00  -0.21   0.11    -0.09   0.23  -0.10     0.04   0.04  -0.02
     9   6     0.01   0.00   0.05     0.02  -0.00  -0.02    -0.03  -0.06   0.02
    10   1     0.07   0.27  -0.00    -0.02  -0.15  -0.01     0.22   0.07  -0.05
    11   1    -0.04   0.00  -0.23     0.06   0.13   0.16    -0.10   0.09  -0.01
    12   6    -0.04   0.02   0.05    -0.01   0.02   0.10     0.03   0.08  -0.02
    13   6    -0.00  -0.04  -0.02    -0.00  -0.03  -0.12    -0.04  -0.08   0.01
    14   1     0.16  -0.03   0.08     0.05  -0.02  -0.03    -0.07   0.02   0.06
    15   1     0.14   0.18   0.03    -0.09  -0.05  -0.01    -0.10  -0.03  -0.09
    16   1    -0.05  -0.18  -0.04    -0.05  -0.00   0.20     0.02   0.13   0.17
    17   1     0.09   0.06   0.26     0.03   0.06   0.13    -0.07  -0.15   0.05
    18   1     0.03  -0.05  -0.10    -0.00   0.03   0.02     0.03  -0.00   0.38
    19   1     0.08  -0.02  -0.03     0.02   0.06   0.14    -0.12  -0.16  -0.32
    20   1     0.14  -0.01  -0.04     0.56  -0.31  -0.06     0.13   0.12  -0.06
    21   1     0.12  -0.01  -0.02    -0.17   0.19   0.24     0.36  -0.07  -0.08
    22   1    -0.11   0.11   0.04    -0.12   0.07   0.24    -0.31   0.28   0.08
    23   1    -0.08   0.24  -0.00     0.09  -0.06  -0.06     0.08   0.05  -0.03
    24   1    -0.03  -0.32  -0.18     0.02   0.00   0.02    -0.09  -0.02   0.02
    25   1    -0.01   0.34  -0.09     0.06  -0.12  -0.03    -0.04   0.01   0.00
    26   1     0.25   0.18   0.01    -0.12  -0.06   0.00     0.09   0.12  -0.00
    27   1    -0.12  -0.03  -0.13     0.11   0.06   0.07    -0.04   0.04  -0.08
    28   1    -0.07  -0.05  -0.14    -0.00   0.02   0.07    -0.23  -0.12  -0.13
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1014.2616              1027.3514              1057.1050
 Red. masses --      1.9927                 1.4127                 2.1296
 Frc consts  --      1.2078                 0.8785                 1.4021
 IR Inten    --      0.4369                 0.7530                 1.7641
 RamAct Fr= 1--      6.2343                 0.5186                 0.8509
  Dep-P Fr= 1--      0.3964                 0.7312                 0.6757
  Dep-U Fr= 1--      0.5678                 0.8447                 0.8065
 Alpha2 Fr= 1--      0.0468                 0.0002                 0.0011
 Beta2  Fr= 1--      0.5900                 0.0730                 0.1144
 AlphaG Fr= 1--     -0.0540                 0.0027                 0.0000
 Gamma2 Fr= 1--      1.6948                 0.4967                -0.3862
 Delta2 Fr= 1--     -0.0765                 0.1342                 0.2934
 Raman1 Fr= 1--      24.937                  2.074                  3.404
 ROA1   Fr= 1--     160.254                 51.975                -27.690
 CID1   Fr= 1--       6.426                 25.056                 -8.135
 Raman2 Fr= 1--       7.080                  0.876                  1.372
 ROA2   Fr= 1--      41.287                 10.846                -11.617
 CID2   Fr= 1--       5.832                 12.380                 -8.464
 Raman3 Fr= 1--      14.159                  1.752                  2.745
 ROA3   Fr= 1--     160.254                 51.975                -27.690
 CID3   Fr= 1--      11.318                 29.662                -10.087
 RC180  Fr= 1--       0.136                  0.689                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.04    -0.04  -0.03   0.02     0.04   0.05  -0.02
     2   6     0.06   0.08  -0.04    -0.04  -0.02   0.03     0.13   0.07   0.03
     3   6     0.03   0.06  -0.05     0.03   0.02  -0.05    -0.10   0.01   0.07
     4   6    -0.07  -0.12   0.03     0.01   0.00   0.04     0.09  -0.11  -0.03
     5   6    -0.02   0.02   0.01    -0.01  -0.00   0.00     0.02  -0.03  -0.07
     6   6     0.02   0.12  -0.03     0.06   0.02  -0.05     0.09  -0.04   0.01
     7   6     0.05   0.00   0.06    -0.05   0.00   0.00    -0.07   0.05   0.01
     8   1    -0.13  -0.29   0.08    -0.01   0.05  -0.01     0.05   0.02   0.01
     9   6    -0.09  -0.01   0.03    -0.01   0.08  -0.01    -0.10  -0.01  -0.05
    10   1     0.33   0.09  -0.09    -0.09  -0.21   0.02    -0.01   0.12   0.06
    11   1     0.03  -0.35  -0.05     0.08  -0.10   0.05     0.07  -0.24  -0.19
    12   6    -0.01  -0.02  -0.00     0.02   0.05  -0.02    -0.04   0.03   0.04
    13   6     0.02   0.01  -0.06    -0.03  -0.06   0.01    -0.03   0.02  -0.01
    14   1    -0.04   0.12   0.14     0.20   0.03  -0.14     0.14  -0.04  -0.14
    15   1     0.03   0.14  -0.05     0.15   0.15   0.07     0.04  -0.22   0.31
    16   1     0.01   0.09   0.19    -0.11  -0.32  -0.05     0.17   0.20  -0.35
    17   1     0.00   0.02  -0.03    -0.05  -0.10   0.03     0.08   0.06   0.25
    18   1    -0.02   0.01  -0.06     0.03  -0.01   0.23     0.04  -0.06  -0.09
    19   1     0.01   0.03   0.06    -0.07  -0.10  -0.21     0.07  -0.02  -0.05
    20   1     0.21  -0.17  -0.01     0.08   0.10  -0.04     0.03  -0.03  -0.00
    21   1    -0.17   0.10   0.13     0.26  -0.06  -0.06    -0.09   0.05   0.04
    22   1     0.04  -0.05   0.10    -0.22   0.20   0.05    -0.04   0.02   0.03
    23   1    -0.02  -0.16   0.04    -0.09  -0.17   0.05    -0.04  -0.08   0.05
    24   1     0.08   0.17   0.04     0.18   0.10  -0.02    -0.10  -0.03   0.02
    25   1     0.16  -0.12  -0.01    -0.05  -0.11   0.07    -0.33   0.08   0.14
    26   1     0.16   0.04  -0.02    -0.04  -0.18  -0.01    -0.20  -0.20  -0.04
    27   1    -0.28  -0.18  -0.17    -0.11  -0.18   0.03    -0.12  -0.16   0.02
    28   1     0.02  -0.04  -0.12     0.36   0.15   0.12     0.09   0.03   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1075.7647              1103.1734              1110.7312
 Red. masses --      1.4522                 1.6305                 1.3373
 Frc consts  --      0.9902                 1.1691                 0.9721
 IR Inten    --      0.2279                 1.5978                 1.4193
 RamAct Fr= 1--      6.8139                 4.6513                 1.0932
  Dep-P Fr= 1--      0.4952                 0.4602                 0.5162
  Dep-U Fr= 1--      0.6624                 0.6304                 0.6809
 Alpha2 Fr= 1--      0.0344                 0.0273                 0.0050
 Beta2  Fr= 1--      0.7523                 0.4887                 0.1241
 AlphaG Fr= 1--      0.0119                -0.0257                 0.0337
 Gamma2 Fr= 1--     -0.4180                 1.6359                -2.6459
 Delta2 Fr= 1--      0.5396                 0.9565                -1.4570
 Raman1 Fr= 1--      27.256                 18.605                  4.373
 ROA1   Fr= 1--     -22.859                187.656               -300.627
 CID1   Fr= 1--      -0.839                 10.086                -68.752
 Raman2 Fr= 1--       9.027                  5.864                  1.489
 ROA2   Fr= 1--     -14.348                 31.610                -51.844
 CID2   Fr= 1--      -1.589                  5.391                -34.827
 Raman3 Fr= 1--      18.055                 11.728                  2.977
 ROA3   Fr= 1--     -22.859                187.656               -300.627
 CID3   Fr= 1--      -1.266                 16.001               -100.974
 RC180  Fr= 1--       0.325                  0.261                  0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.03    -0.05  -0.01   0.06    -0.01   0.05   0.00
     2   6     0.07   0.09   0.02     0.10   0.04  -0.06     0.04  -0.06  -0.04
     3   6     0.03  -0.03  -0.03     0.04  -0.03  -0.07    -0.00  -0.02  -0.01
     4   6     0.06   0.06   0.01    -0.00   0.08  -0.01     0.04   0.03   0.03
     5   6     0.01  -0.03  -0.03     0.00  -0.02  -0.01     0.01   0.06  -0.01
     6   6    -0.04  -0.04   0.00     0.01  -0.09   0.06    -0.07  -0.02  -0.01
     7   6    -0.03  -0.00  -0.01    -0.06   0.05  -0.00    -0.03  -0.03   0.01
     8   1     0.02   0.14  -0.04    -0.26  -0.24   0.07    -0.02   0.10  -0.04
     9   6    -0.02  -0.06  -0.05    -0.06  -0.01   0.00    -0.02   0.04   0.02
    10   1     0.13  -0.04  -0.01     0.12   0.19  -0.04     0.28  -0.31  -0.12
    11   1     0.09  -0.09  -0.11     0.07   0.38   0.41    -0.21   0.11  -0.26
    12   6    -0.00   0.02   0.01     0.01   0.01  -0.00    -0.01  -0.05   0.01
    13   6    -0.00   0.02   0.01    -0.00  -0.00   0.02     0.00  -0.02   0.01
    14   1    -0.43  -0.05   0.34    -0.05  -0.09   0.02     0.19  -0.01   0.49
    15   1     0.22   0.44  -0.12    -0.07  -0.27   0.22     0.04   0.07   0.00
    16   1    -0.13  -0.28   0.02     0.03   0.01  -0.20     0.12   0.24  -0.11
    17   1     0.01  -0.01   0.07    -0.02  -0.03  -0.02     0.02   0.07  -0.09
    18   1     0.02  -0.01   0.06    -0.00   0.01   0.08    -0.04   0.03  -0.14
    19   1    -0.01  -0.03  -0.06    -0.03  -0.01  -0.02     0.05   0.08   0.17
    20   1    -0.08   0.01   0.02    -0.07   0.05   0.01    -0.01   0.06  -0.01
    21   1    -0.04  -0.01  -0.02     0.05  -0.04  -0.04     0.10  -0.03  -0.04
    22   1     0.03  -0.03  -0.02    -0.00   0.00  -0.04    -0.04   0.04  -0.02
    23   1    -0.06  -0.20   0.05     0.06  -0.05  -0.05    -0.02  -0.10   0.00
    24   1     0.03   0.02   0.02     0.13   0.05  -0.01     0.21  -0.01  -0.07
    25   1    -0.17  -0.05   0.10     0.35  -0.15  -0.16    -0.15  -0.02   0.08
    26   1    -0.22  -0.04  -0.01     0.04  -0.03  -0.02     0.12  -0.05  -0.01
    27   1     0.12   0.11   0.06    -0.15  -0.12  -0.07    -0.15  -0.14  -0.06
    28   1    -0.21  -0.06   0.02     0.03  -0.02  -0.06     0.17   0.05  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7536              1180.1803              1193.5164
 Red. masses --      1.5369                 2.0135                 1.9676
 Frc consts  --      1.1496                 1.6523                 1.6514
 IR Inten    --      0.2296                 0.9376                 2.6898
 RamAct Fr= 1--      4.7202                 3.5722                 7.8944
  Dep-P Fr= 1--      0.5825                 0.6480                 0.6138
  Dep-U Fr= 1--      0.7361                 0.7864                 0.7607
 Alpha2 Fr= 1--      0.0148                 0.0066                 0.0197
 Beta2  Fr= 1--      0.5791                 0.4682                 1.0009
 AlphaG Fr= 1--      0.0122                -0.0628                 0.0585
 Gamma2 Fr= 1--     -1.2459                -0.3840                 1.8994
 Delta2 Fr= 1--     -0.7314                -0.7470                 0.9521
 Raman1 Fr= 1--      18.881                 14.289                 31.578
 ROA1   Fr= 1--    -143.011                -60.766                212.808
 CID1   Fr= 1--      -7.574                 -4.253                  6.739
 Raman2 Fr= 1--       6.950                  5.618                 12.011
 ROA2   Fr= 1--     -24.051                 -3.240                 37.968
 CID2   Fr= 1--      -3.461                 -0.577                  3.161
 Raman3 Fr= 1--      13.899                 11.236                 24.021
 ROA3   Fr= 1--    -143.011                -60.766                212.808
 CID3   Fr= 1--     -10.289                 -5.408                  8.859
 RC180  Fr= 1--       0.472                  0.573                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.06     0.04  -0.06   0.08    -0.05  -0.02  -0.03
     2   6     0.06   0.02   0.09    -0.10   0.09  -0.01     0.07   0.06   0.09
     3   6     0.06   0.04   0.03    -0.01   0.02  -0.08     0.05  -0.03   0.04
     4   6    -0.06   0.01   0.02     0.03  -0.00   0.10    -0.04   0.02  -0.03
     5   6     0.04  -0.01  -0.04     0.09   0.07  -0.05    -0.11   0.12   0.02
     6   6    -0.02   0.02  -0.00     0.03  -0.04  -0.07    -0.03  -0.03  -0.09
     7   6     0.07  -0.04  -0.02    -0.05  -0.07   0.02    -0.00  -0.04   0.04
     8   1     0.08  -0.20   0.08    -0.11  -0.04  -0.01     0.11   0.06   0.01
     9   6    -0.03   0.01  -0.07     0.05  -0.05   0.00    -0.02  -0.02  -0.08
    10   1    -0.07  -0.02   0.11    -0.26   0.35   0.05     0.07   0.20   0.10
    11   1    -0.36   0.34  -0.10    -0.18   0.07  -0.15     0.23  -0.22   0.15
    12   6    -0.03   0.01   0.02    -0.04  -0.02   0.02     0.06  -0.05  -0.01
    13   6    -0.03  -0.01   0.01    -0.05  -0.05   0.01     0.04  -0.05   0.02
    14   1    -0.21   0.01  -0.13     0.19  -0.03  -0.06     0.36  -0.02   0.06
    15   1    -0.16  -0.15  -0.15     0.06   0.08  -0.00     0.01   0.04   0.00
    16   1     0.03   0.17   0.18     0.16   0.30  -0.16     0.11   0.23  -0.00
    17   1     0.05   0.05   0.13     0.07   0.11   0.07    -0.06  -0.02  -0.30
    18   1     0.02  -0.04  -0.09    -0.01  -0.02  -0.18    -0.10   0.15   0.08
    19   1     0.06   0.00  -0.01     0.10   0.05   0.08    -0.09   0.07   0.19
    20   1     0.01   0.04  -0.01     0.06   0.12  -0.04     0.01   0.07  -0.02
    21   1     0.04   0.00   0.01     0.18  -0.02  -0.01     0.21  -0.10  -0.10
    22   1    -0.08   0.07   0.02    -0.20   0.17   0.02     0.03  -0.00  -0.09
    23   1    -0.19  -0.07   0.10     0.14  -0.07  -0.02    -0.10   0.04   0.03
    24   1     0.38  -0.08  -0.21     0.06   0.19   0.07    -0.27  -0.11   0.07
    25   1     0.06   0.11  -0.01     0.05  -0.19   0.02     0.14   0.10  -0.09
    26   1    -0.23  -0.18  -0.03    -0.03   0.16   0.03    -0.27  -0.14  -0.03
    27   1     0.04  -0.05   0.11     0.16   0.20   0.01     0.10   0.02   0.10
    28   1     0.08   0.06   0.12    -0.22  -0.08  -0.01    -0.04   0.03   0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1227.7599              1233.1765              1240.2200
 Red. masses --      1.8132                 1.4208                 2.2432
 Frc consts  --      1.6104                 1.2730                 2.0329
 IR Inten    --      0.3166                 1.4882                 1.4598
 RamAct Fr= 1--      5.2424                 2.6802                 1.5741
  Dep-P Fr= 1--      0.7499                 0.6586                 0.2084
  Dep-U Fr= 1--      0.8571                 0.7942                 0.3449
 Alpha2 Fr= 1--      0.0000                 0.0044                 0.0209
 Beta2  Fr= 1--      0.7489                 0.3548                 0.0905
 AlphaG Fr= 1--      0.0003                -0.0182                -0.0199
 Gamma2 Fr= 1--      1.1196                -1.1015                -0.7453
 Delta2 Fr= 1--      0.0337                 0.1184                -0.0777
 Raman1 Fr= 1--      20.970                 10.721                  6.296
 ROA1   Fr= 1--     108.557               -101.952                -74.031
 CID1   Fr= 1--       5.177                 -9.510                -11.758
 Raman2 Fr= 1--       8.986                  4.257                  1.086
 ROA2   Fr= 1--      26.601                -27.382                -17.265
 CID2   Fr= 1--       2.960                 -6.432                -15.899
 Raman3 Fr= 1--      17.973                  8.514                  2.172
 ROA3   Fr= 1--     108.557               -101.952                -74.031
 CID3   Fr= 1--       6.040                -11.974                -34.089
 RC180  Fr= 1--       0.714                  0.588                 -0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.02    -0.05  -0.04  -0.03    -0.02   0.01   0.04
     2   6     0.03  -0.05   0.01    -0.01  -0.02  -0.03     0.05   0.01  -0.03
     3   6    -0.06  -0.00   0.01     0.06   0.01   0.01     0.04  -0.04  -0.01
     4   6     0.01  -0.08  -0.04    -0.06   0.04  -0.00     0.03   0.05   0.02
     5   6     0.09   0.16  -0.06     0.09  -0.00   0.00    -0.04   0.12   0.23
     6   6    -0.05  -0.01   0.07     0.07   0.01   0.02     0.02  -0.05   0.08
     7   6     0.01   0.02  -0.00    -0.04  -0.06   0.01    -0.02  -0.01  -0.08
     8   1    -0.09  -0.21   0.07     0.23   0.38  -0.11    -0.04   0.07  -0.01
     9   6    -0.01   0.01  -0.00    -0.01   0.02   0.02    -0.01  -0.00   0.00
    10   1    -0.01  -0.01   0.02     0.11  -0.23  -0.07    -0.05   0.13   0.01
    11   1     0.26  -0.10   0.32     0.15  -0.07   0.21    -0.14  -0.08  -0.39
    12   6    -0.04  -0.07   0.03    -0.03   0.01  -0.00     0.00  -0.03  -0.06
    13   6    -0.03  -0.05   0.02    -0.03  -0.01  -0.01     0.01  -0.04  -0.08
    14   1    -0.32  -0.01  -0.23    -0.37  -0.01  -0.01    -0.29  -0.07  -0.51
    15   1     0.14   0.29  -0.09     0.03   0.04  -0.00    -0.03  -0.05  -0.08
    16   1    -0.14  -0.30   0.10     0.18   0.39  -0.15    -0.02   0.01  -0.09
    17   1     0.09   0.17  -0.04     0.03   0.03   0.10    -0.04  -0.02  -0.18
    18   1    -0.06   0.03  -0.24     0.04  -0.07  -0.07    -0.03   0.02  -0.15
    19   1     0.13   0.09   0.20     0.07  -0.02  -0.06    -0.05  -0.05  -0.09
    20   1     0.05   0.14  -0.04     0.05   0.02  -0.02     0.30  -0.14  -0.06
    21   1     0.19  -0.03  -0.02     0.03   0.03   0.04     0.05   0.10   0.12
    22   1    -0.15   0.14  -0.01    -0.10   0.08   0.06    -0.05   0.00   0.16
    23   1     0.05   0.12  -0.04    -0.10   0.02   0.02     0.01  -0.10  -0.00
    24   1     0.01   0.00  -0.01    -0.35  -0.02   0.14     0.05  -0.03  -0.01
    25   1     0.07  -0.03  -0.04     0.15   0.10  -0.09    -0.22   0.03   0.10
    26   1     0.01  -0.04  -0.01     0.07  -0.00   0.00     0.01  -0.01  -0.00
    27   1    -0.03  -0.05   0.00    -0.05  -0.04  -0.02    -0.04  -0.03  -0.02
    28   1     0.05   0.02  -0.00     0.05   0.01  -0.02    -0.01  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1252.6331              1268.4988              1301.0037
 Red. masses --      1.5828                 1.5510                 1.8904
 Frc consts  --      1.4633                 1.4704                 1.8852
 IR Inten    --      1.3783                 1.5234                 2.2020
 RamAct Fr= 1--      3.5496                 3.5561                 7.3102
  Dep-P Fr= 1--      0.3414                 0.5681                 0.4403
  Dep-U Fr= 1--      0.5090                 0.7246                 0.6114
 Alpha2 Fr= 1--      0.0320                 0.0122                 0.0466
 Beta2  Fr= 1--      0.3011                 0.4295                 0.7449
 AlphaG Fr= 1--      0.0934                 0.0180                -0.0180
 Gamma2 Fr= 1--     -0.2925                 0.7137                 1.1643
 Delta2 Fr= 1--     -0.8104                 0.8926                 0.3613
 Raman1 Fr= 1--      14.198                 14.224                 29.241
 ROA1   Fr= 1--     -54.015                 97.081                123.332
 CID1   Fr= 1--      -3.804                  6.825                  4.218
 Raman2 Fr= 1--       3.614                  5.153                  8.939
 ROA2   Fr= 1--      -0.538                  9.989                 25.052
 CID2   Fr= 1--      -0.149                  1.938                  2.803
 Raman3 Fr= 1--       7.227                 10.307                 17.878
 ROA3   Fr= 1--     -54.015                 97.081                123.332
 CID3   Fr= 1--      -7.474                  9.419                  6.898
 RC180  Fr= 1--       0.018                  0.449                  0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.05     0.03   0.04   0.01    -0.03  -0.00   0.02
     2   6     0.04  -0.05   0.07     0.00  -0.02  -0.00     0.05  -0.07  -0.01
     3   6    -0.04  -0.02  -0.03    -0.01  -0.02  -0.00    -0.00  -0.03  -0.05
     4   6     0.07   0.01   0.04     0.01   0.03  -0.05     0.01   0.07   0.15
     5   6     0.06  -0.05   0.09    -0.08  -0.04  -0.03    -0.08   0.00  -0.14
     6   6    -0.05   0.03  -0.04     0.03   0.06   0.05     0.03   0.03   0.06
     7   6    -0.04  -0.04  -0.00    -0.05  -0.14   0.04     0.03  -0.01  -0.05
     8   1    -0.10  -0.32   0.11    -0.15  -0.26   0.08    -0.01   0.05  -0.00
     9   6    -0.01   0.02  -0.04    -0.01   0.00   0.01    -0.02   0.03   0.00
    10   1     0.03   0.07   0.09    -0.06  -0.01   0.01    -0.05   0.14   0.04
    11   1    -0.11   0.12  -0.13     0.09   0.09   0.13    -0.09  -0.39  -0.47
    12   6    -0.03   0.03  -0.03     0.03   0.01   0.01     0.03  -0.00   0.03
    13   6    -0.02   0.02  -0.04     0.03   0.02   0.01     0.03  -0.01   0.05
    14   1     0.11   0.03   0.14    -0.07   0.06  -0.34    -0.29   0.02  -0.15
    15   1     0.14   0.27  -0.07     0.22   0.48  -0.17    -0.07  -0.16  -0.03
    16   1     0.00  -0.00  -0.06     0.19   0.42  -0.09    -0.02   0.02   0.06
    17   1     0.00  -0.02   0.07    -0.04  -0.06  -0.02     0.00  -0.00  -0.01
    18   1     0.04  -0.07  -0.03    -0.01   0.04   0.11    -0.04   0.08   0.09
    19   1     0.04  -0.05  -0.15    -0.08  -0.01   0.01    -0.06   0.03   0.09
    20   1     0.09  -0.10  -0.01    -0.09  -0.03   0.03    -0.16   0.10   0.02
    21   1    -0.09   0.09   0.09    -0.05  -0.04  -0.06    -0.00  -0.10  -0.10
    22   1    -0.02  -0.01   0.11     0.08  -0.05  -0.05     0.01   0.04  -0.13
    23   1     0.07   0.35  -0.09     0.05  -0.01  -0.02     0.18   0.34  -0.14
    24   1    -0.35   0.08   0.20     0.22  -0.03  -0.10    -0.18   0.05   0.11
    25   1     0.38  -0.08  -0.21    -0.19  -0.01   0.08     0.11  -0.11  -0.06
    26   1    -0.09  -0.11  -0.02     0.04   0.01   0.00     0.04  -0.07  -0.01
    27   1     0.02  -0.06   0.07    -0.02  -0.02  -0.00    -0.05  -0.07   0.02
    28   1     0.07   0.05   0.07     0.02   0.00  -0.01     0.09   0.03  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1323.1731              1332.6604              1350.7865
 Red. masses --      1.3851                 1.6423                 1.4411
 Frc consts  --      1.4288                 1.7184                 1.5492
 IR Inten    --      0.1637                 1.1869                 0.0926
 RamAct Fr= 1--      3.8312                 3.1780                 2.1792
  Dep-P Fr= 1--      0.6893                 0.6202                 0.6529
  Dep-U Fr= 1--      0.8161                 0.7656                 0.7900
 Alpha2 Fr= 1--      0.0041                 0.0075                 0.0038
 Beta2  Fr= 1--      0.5211                 0.4055                 0.2869
 AlphaG Fr= 1--      0.0019                 0.0109                -0.0015
 Gamma2 Fr= 1--      3.9046                -2.1992                -0.8397
 Delta2 Fr= 1--      2.3538                -1.1516                -0.7705
 Raman1 Fr= 1--      15.325                 12.712                  8.717
 ROA1   Fr= 1--     450.168               -247.980               -105.264
 CID1   Fr= 1--      29.375                -19.508                -12.076
 Raman2 Fr= 1--       6.253                  4.866                  3.443
 ROA2   Fr= 1--      74.881                -43.569                -13.989
 CID2   Fr= 1--      11.974                 -8.954                 -4.063
 Raman3 Fr= 1--      12.507                  9.732                  6.886
 ROA3   Fr= 1--     450.168               -247.980               -105.264
 CID3   Fr= 1--      35.994                -25.481                -15.286
 RC180  Fr= 1--       0.632                  0.531                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.01     0.01   0.00  -0.06    -0.01  -0.09   0.04
     2   6     0.02  -0.01  -0.06    -0.01   0.06  -0.00    -0.01  -0.08   0.00
     3   6     0.03   0.03   0.01    -0.04   0.03   0.04    -0.08   0.05   0.03
     4   6     0.03  -0.05   0.03     0.10  -0.08   0.03     0.05  -0.05  -0.04
     5   6     0.01  -0.03  -0.04    -0.12   0.05  -0.02    -0.04   0.01   0.03
     6   6    -0.10   0.01   0.10     0.08  -0.01  -0.01     0.03   0.01  -0.02
     7   6     0.01  -0.02  -0.02    -0.03   0.01   0.01    -0.02  -0.00   0.02
     8   1     0.13   0.31  -0.09     0.08  -0.03  -0.00     0.17   0.44  -0.16
     9   6    -0.01   0.00  -0.01     0.01  -0.01   0.03    -0.01   0.02  -0.03
    10   1     0.19   0.25  -0.06    -0.20  -0.42  -0.03     0.20   0.48   0.03
    11   1    -0.16   0.21  -0.01    -0.27   0.33  -0.11    -0.05   0.20   0.05
    12   6    -0.01  -0.00   0.00     0.04  -0.01   0.02     0.01  -0.01  -0.00
    13   6     0.01   0.01   0.01     0.03  -0.01   0.01     0.01   0.01  -0.01
    14   1     0.42   0.03  -0.40    -0.30  -0.02  -0.01    -0.21   0.00   0.12
    15   1     0.08   0.19  -0.11     0.08   0.06   0.08     0.07   0.09   0.03
    16   1    -0.06  -0.10   0.05    -0.02  -0.05  -0.05     0.01   0.00  -0.03
    17   1     0.03   0.02   0.05    -0.06  -0.03  -0.14    -0.00   0.00  -0.04
    18   1    -0.01   0.00   0.03    -0.02   0.07  -0.04    -0.03   0.04   0.02
    19   1     0.02   0.02   0.03    -0.10  -0.02   0.03    -0.03  -0.02  -0.02
    20   1    -0.07   0.02   0.01    -0.02   0.01   0.00     0.01  -0.04   0.00
    21   1    -0.06  -0.01  -0.00    -0.01  -0.05  -0.04    -0.01   0.00  -0.01
    22   1     0.02   0.00  -0.02     0.02   0.00  -0.07     0.02  -0.02   0.01
    23   1    -0.16  -0.34   0.09    -0.20  -0.20   0.11     0.15   0.27  -0.06
    24   1    -0.25   0.04   0.13    -0.11   0.03   0.06     0.37   0.03  -0.16
    25   1     0.13   0.04  -0.05     0.43   0.01  -0.20     0.16  -0.01  -0.06
    26   1     0.01  -0.03  -0.02     0.04   0.07   0.03    -0.01  -0.07  -0.03
    27   1     0.01   0.03   0.00    -0.05   0.00  -0.07     0.04  -0.01   0.08
    28   1     0.06   0.01  -0.03    -0.08  -0.04  -0.05     0.10   0.05   0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1359.4811              1376.3828              1391.6089
 Red. masses --      1.3066                 1.4115                 1.4558
 Frc consts  --      1.4228                 1.5754                 1.6611
 IR Inten    --      0.7444                 0.5669                 1.2329
 RamAct Fr= 1--      1.8099                 2.9482                 2.6430
  Dep-P Fr= 1--      0.6845                 0.6770                 0.4393
  Dep-U Fr= 1--      0.8127                 0.8074                 0.6104
 Alpha2 Fr= 1--      0.0021                 0.0038                 0.0169
 Beta2  Fr= 1--      0.2451                 0.3967                 0.2689
 AlphaG Fr= 1--      0.0025                -0.0150                 0.0393
 Gamma2 Fr= 1--      1.7815                -0.4590                 1.4990
 Delta2 Fr= 1--      0.1366                -0.4738                 0.0374
 Raman1 Fr= 1--       7.240                 11.793                 10.572
 ROA1   Fr= 1--     175.392                -59.221                145.097
 CID1   Fr= 1--      24.227                 -5.022                 13.724
 Raman2 Fr= 1--       2.942                  4.761                  3.227
 ROA2   Fr= 1--      41.663                 -7.225                 35.677
 CID2   Fr= 1--      14.162                 -1.518                 11.057
 Raman3 Fr= 1--       5.884                  9.521                  6.453
 ROA3   Fr= 1--     175.392                -59.221                145.097
 CID3   Fr= 1--      29.811                 -6.220                 22.484
 RC180  Fr= 1--       0.625                  0.615                  0.221
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.00     0.03   0.00  -0.03    -0.05  -0.09   0.01
     2   6    -0.08   0.05   0.05    -0.07   0.04   0.01     0.10   0.10  -0.01
     3   6     0.04   0.02  -0.04    -0.10  -0.02   0.06    -0.04   0.02   0.00
     4   6     0.01  -0.05   0.00     0.01   0.09   0.02     0.00   0.01  -0.01
     5   6    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.00
     6   6     0.04  -0.03   0.05    -0.00  -0.02   0.04    -0.07  -0.01   0.03
     7   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.01     0.00  -0.01  -0.00
     8   1    -0.05  -0.11   0.02     0.03  -0.05   0.00     0.14   0.19  -0.05
     9   6     0.02  -0.01  -0.04     0.01  -0.02  -0.02    -0.04  -0.04   0.03
    10   1     0.68  -0.26  -0.13     0.39  -0.14  -0.10    -0.31  -0.48  -0.01
    11   1    -0.14   0.20   0.03     0.20  -0.37  -0.18     0.03  -0.02   0.00
    12   6     0.00  -0.01  -0.00    -0.01  -0.00  -0.03    -0.00   0.01   0.01
    13   6     0.01  -0.01   0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.00
    14   1     0.01  -0.03  -0.17     0.12  -0.02  -0.16     0.30   0.00  -0.18
    15   1    -0.01  -0.05   0.04    -0.07  -0.03  -0.07     0.01   0.08  -0.07
    16   1    -0.00  -0.02  -0.03     0.03  -0.00  -0.09    -0.00  -0.02   0.00
    17   1     0.02   0.02  -0.02     0.05   0.01   0.09    -0.04  -0.02  -0.02
    18   1    -0.03   0.04   0.02    -0.00  -0.03   0.10     0.04  -0.04  -0.06
    19   1    -0.01   0.00   0.02     0.04   0.06   0.05     0.01  -0.02  -0.02
    20   1    -0.03   0.02  -0.00    -0.03   0.00  -0.00     0.06  -0.03   0.01
    21   1    -0.03  -0.01   0.01    -0.01   0.02   0.03     0.06   0.00  -0.02
    22   1    -0.02   0.03  -0.01    -0.02   0.01   0.05     0.05  -0.07  -0.01
    23   1     0.13   0.37  -0.09    -0.10  -0.16   0.07     0.22   0.49  -0.17
    24   1    -0.13   0.06   0.07     0.34  -0.07  -0.17     0.17   0.00  -0.09
    25   1    -0.25  -0.01   0.12     0.46  -0.06  -0.22     0.05  -0.04  -0.01
    26   1    -0.13   0.03  -0.01    -0.05   0.07  -0.00     0.12   0.12   0.00
    27   1     0.07   0.02   0.04     0.06   0.05   0.02     0.00   0.13  -0.05
    28   1    -0.03   0.03   0.12    -0.02   0.01   0.07     0.10  -0.04  -0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1404.2098              1411.5867              1422.4428
 Red. masses --      1.2616                 1.2346                 1.2177
 Frc consts  --      1.4656                 1.4494                 1.4516
 IR Inten    --      6.5069                 4.4366                 7.0671
 RamAct Fr= 1--      0.2950                 0.1918                 0.3233
  Dep-P Fr= 1--      0.2220                 0.6904                 0.0890
  Dep-U Fr= 1--      0.3634                 0.8168                 0.1635
 Alpha2 Fr= 1--      0.0038                 0.0002                 0.0058
 Beta2  Fr= 1--      0.0179                 0.0261                 0.0088
 AlphaG Fr= 1--      0.0067                 0.0004                -0.0004
 Gamma2 Fr= 1--      0.0950                -0.0968                -0.0540
 Delta2 Fr= 1--      0.0485                 0.0169                -0.0263
 Raman1 Fr= 1--       1.180                  0.767                  1.293
 ROA1   Fr= 1--      10.671                 -8.755                 -6.028
 CID1   Fr= 1--       9.044                -11.409                 -4.662
 Raman2 Fr= 1--       0.214                  0.313                  0.106
 ROA2   Fr= 1--       1.891                 -2.459                 -1.085
 CID2   Fr= 1--       8.823                 -7.846                -10.271
 Raman3 Fr= 1--       0.429                  0.627                  0.211
 ROA3   Fr= 1--      10.671                 -8.755                 -6.028
 CID3   Fr= 1--      24.890                -13.967                -28.520
 RC180  Fr= 1--      -0.273                  0.634                 -0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
     2   6     0.03   0.01  -0.00    -0.00  -0.01   0.01    -0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00     0.01  -0.01  -0.00     0.01   0.01  -0.00
     4   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.01
     5   6    -0.01   0.01   0.03    -0.01   0.01   0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.01     0.02  -0.00  -0.02     0.02  -0.00   0.00
     7   6    -0.00   0.00   0.01    -0.00   0.01   0.00    -0.01  -0.00  -0.01
     8   1     0.03   0.03  -0.00    -0.05  -0.06   0.01    -0.02  -0.01  -0.00
     9   6     0.01   0.01   0.01    -0.11  -0.07  -0.03    -0.01  -0.00   0.00
    10   1    -0.15  -0.06   0.02     0.01   0.04   0.01    -0.02  -0.00   0.00
    11   1    -0.02   0.06   0.02    -0.01   0.02   0.00    -0.05   0.05  -0.02
    12   6    -0.01  -0.02  -0.10     0.00  -0.00  -0.01    -0.02  -0.02  -0.09
    13   6     0.08  -0.05  -0.03     0.02  -0.01  -0.01    -0.08   0.05   0.02
    14   1    -0.01  -0.00   0.01    -0.08  -0.01   0.05    -0.07  -0.00  -0.00
    15   1    -0.02   0.02  -0.02    -0.02  -0.02   0.01     0.06  -0.01   0.06
    16   1     0.02  -0.03  -0.05     0.00  -0.02  -0.02    -0.03   0.03   0.06
    17   1     0.19  -0.00   0.32     0.01  -0.00   0.02     0.17   0.00   0.29
    18   1    -0.05  -0.04   0.41    -0.01   0.01   0.03    -0.04  -0.06   0.39
    19   1     0.08   0.27   0.33    -0.01   0.02   0.03     0.11   0.25   0.30
    20   1    -0.32   0.14  -0.05    -0.06   0.04  -0.01     0.36  -0.15   0.05
    21   1    -0.32   0.06   0.20    -0.06   0.01   0.04     0.37  -0.04  -0.20
    22   1    -0.21   0.29   0.13    -0.05   0.07   0.02     0.23  -0.34  -0.11
    23   1     0.04   0.07  -0.03    -0.06  -0.07   0.04    -0.02  -0.00   0.01
    24   1    -0.01  -0.02  -0.03    -0.06  -0.01   0.03    -0.06  -0.01   0.01
    25   1    -0.04  -0.02   0.03    -0.02   0.01   0.01    -0.01  -0.02   0.02
    26   1    -0.04  -0.03   0.02     0.45   0.30  -0.11     0.04   0.01  -0.01
    27   1    -0.05  -0.04  -0.05     0.30   0.39   0.27     0.01   0.02   0.01
    28   1    -0.06  -0.02  -0.05     0.50   0.07   0.20     0.03   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1486.2610              1487.8690              1493.9979
 Red. masses --      1.0566                 1.0579                 1.0630
 Frc consts  --      1.3752                 1.3798                 1.3980
 IR Inten    --      1.2080                 0.9042                 3.9325
 RamAct Fr= 1--      1.4783                 7.1838                 1.7916
  Dep-P Fr= 1--      0.7296                 0.7499                 0.7332
  Dep-U Fr= 1--      0.8437                 0.8571                 0.8461
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0005
 Beta2  Fr= 1--      0.2079                 1.0262                 0.2526
 AlphaG Fr= 1--     -0.0037                -0.0006                 0.0036
 Gamma2 Fr= 1--      0.3451                -0.7550                -0.7542
 Delta2 Fr= 1--      0.3568                 0.3201                 0.0728
 Raman1 Fr= 1--       5.913                 28.735                  7.166
 ROA1   Fr= 1--      44.546                -62.239                -70.076
 CID1   Fr= 1--       7.533                 -2.166                 -9.779
 Raman2 Fr= 1--       2.494                 12.314                  3.032
 ROA2   Fr= 1--       5.427                -20.681                -18.685
 CID2   Fr= 1--       2.176                 -1.679                 -6.163
 Raman3 Fr= 1--       4.989                 24.629                  6.063
 ROA3   Fr= 1--      44.546                -62.239                -70.076
 CID3   Fr= 1--       8.929                 -2.527                -11.558
 RC180  Fr= 1--       0.687                  0.714                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.03   0.01   0.00    -0.04   0.02   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6    -0.01  -0.02   0.00    -0.00  -0.03  -0.00    -0.01  -0.01  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.00
     5   6    -0.01   0.01   0.02    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.00  -0.02     0.01   0.00   0.02     0.00   0.00   0.02
     8   1    -0.02   0.01  -0.02     0.24  -0.06   0.17     0.35  -0.09   0.25
     9   6     0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.01   0.01
    10   1    -0.00  -0.00  -0.00    -0.02  -0.02   0.00     0.06   0.04   0.00
    11   1     0.01  -0.01  -0.01    -0.01   0.01   0.01    -0.01   0.02   0.00
    12   6    -0.04   0.01   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.00
    13   6     0.02   0.01   0.03     0.00   0.02  -0.02    -0.01  -0.02   0.01
    14   1     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.03   0.00   0.02
    15   1     0.12  -0.03   0.12    -0.10   0.00  -0.08    -0.10   0.02  -0.09
    16   1    -0.06   0.07   0.14     0.05  -0.05  -0.10     0.05  -0.05  -0.11
    17   1    -0.07   0.15  -0.28     0.20   0.33  -0.03    -0.13  -0.17  -0.03
    18   1     0.13  -0.25   0.20    -0.19   0.23   0.13     0.14  -0.19  -0.01
    19   1     0.47   0.03  -0.08     0.07  -0.11  -0.15     0.06   0.08   0.08
    20   1     0.14  -0.22   0.08    -0.23  -0.27   0.09     0.20   0.31  -0.10
    21   1    -0.29  -0.24  -0.27     0.18  -0.04  -0.14    -0.07   0.10   0.19
    22   1    -0.14   0.26  -0.22    -0.01  -0.03   0.35     0.07  -0.06  -0.29
    23   1    -0.02   0.02   0.02     0.18  -0.15  -0.19     0.27  -0.21  -0.28
    24   1     0.08   0.11   0.10     0.09   0.18   0.16     0.07   0.11   0.09
    25   1    -0.03   0.14  -0.08    -0.05   0.22  -0.12    -0.03   0.14  -0.08
    26   1    -0.02   0.03   0.01    -0.08   0.01   0.02    -0.14  -0.01   0.03
    27   1    -0.01   0.01  -0.03    -0.01   0.10  -0.10    -0.01   0.16  -0.14
    28   1     0.01   0.00   0.02     0.09  -0.01  -0.05     0.15  -0.01  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1498.6975              1499.0458              1505.3903
 Red. masses --      1.0529                 1.0533                 1.0693
 Frc consts  --      1.3934                 1.3946                 1.4277
 IR Inten    --      4.2601                 3.5160                 2.1380
 RamAct Fr= 1--      2.9245                 3.0157                11.4126
  Dep-P Fr= 1--      0.7495                 0.6541                 0.7455
  Dep-U Fr= 1--      0.8568                 0.7909                 0.8542
 Alpha2 Fr= 1--      0.0000                 0.0052                 0.0009
 Beta2  Fr= 1--      0.4176                 0.3975                 1.6248
 AlphaG Fr= 1--     -0.0002                 0.0012                -0.0014
 Gamma2 Fr= 1--      2.1445                -1.1504                 3.5642
 Delta2 Fr= 1--      1.2902                -0.9147                 0.3381
 Raman1 Fr= 1--      11.698                 12.063                 45.650
 ROA1   Fr= 1--     247.161               -139.705                352.980
 CID1   Fr= 1--      21.129                -11.581                  7.732
 Raman2 Fr= 1--       5.011                  4.770                 19.498
 ROA2   Fr= 1--      41.148                -20.291                 82.835
 CID2   Fr= 1--       8.211                 -4.254                  4.248
 Raman3 Fr= 1--      10.023                  9.540                 38.996
 ROA3   Fr= 1--     247.161               -139.705                352.980
 CID3   Fr= 1--      24.660                -14.643                  9.052
 RC180  Fr= 1--       0.714                  0.582                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.00
     2   6    -0.02   0.03  -0.00     0.02  -0.01  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.02  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.01
     5   6    -0.01   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.02  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.01   0.00   0.00
     7   6     0.00   0.00   0.02     0.01   0.00   0.02     0.01   0.00   0.02
     8   1     0.09  -0.03   0.06     0.08   0.02   0.04    -0.09   0.01  -0.05
     9   6    -0.02   0.04  -0.01     0.02  -0.01  -0.04    -0.00  -0.00   0.01
    10   1     0.01  -0.05  -0.02    -0.08   0.01  -0.00     0.03   0.05   0.01
    11   1    -0.01   0.01  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.01
    12   6    -0.01   0.00   0.00    -0.01   0.01   0.00    -0.02   0.02   0.02
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.03
    14   1     0.02  -0.00  -0.02    -0.00   0.01   0.00    -0.04   0.00  -0.00
    15   1    -0.09   0.01  -0.08    -0.11   0.03  -0.11    -0.14   0.02  -0.13
    16   1     0.04  -0.06  -0.10     0.05  -0.07  -0.11     0.07  -0.08  -0.16
    17   1    -0.03   0.02  -0.08    -0.05  -0.02  -0.06    -0.20  -0.07  -0.26
    18   1     0.05  -0.09   0.05     0.06  -0.10   0.04     0.23  -0.35   0.09
    19   1     0.13   0.02  -0.01     0.10   0.03   0.02     0.36   0.09   0.03
    20   1    -0.02   0.02  -0.01    -0.03   0.03  -0.01    -0.25  -0.05   0.01
    21   1     0.04   0.02   0.02     0.07   0.04   0.04     0.26   0.09   0.06
    22   1     0.02  -0.03   0.03     0.04  -0.06   0.05     0.06  -0.14   0.34
    23   1     0.08  -0.04  -0.07     0.05  -0.05  -0.06    -0.07   0.05   0.07
    24   1     0.03   0.04   0.03     0.01   0.05   0.05    -0.11  -0.14  -0.12
    25   1    -0.01   0.04  -0.02    -0.02   0.06  -0.03     0.02  -0.19   0.12
    26   1     0.45  -0.43  -0.11     0.09   0.45  -0.02    -0.12  -0.03   0.03
    27   1     0.21  -0.17   0.51    -0.11  -0.44   0.11    -0.02   0.13  -0.13
    28   1    -0.32  -0.06  -0.22    -0.25   0.13   0.59     0.13  -0.02  -0.10
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1507.1191              1519.3962              1526.8140
 Red. masses --      1.0710                 1.0643                 1.0831
 Frc consts  --      1.4333                 1.4476                 1.4876
 IR Inten    --     10.2064                 7.2456                 6.8999
 RamAct Fr= 1--      1.9787                 2.2670                 3.5411
  Dep-P Fr= 1--      0.7191                 0.7405                 0.3372
  Dep-U Fr= 1--      0.8366                 0.8509                 0.5044
 Alpha2 Fr= 1--      0.0011                 0.0004                 0.0324
 Beta2  Fr= 1--      0.2759                 0.3215                 0.2977
 AlphaG Fr= 1--     -0.0053                -0.0039                -0.0008
 Gamma2 Fr= 1--     -2.6045                -1.1946                 1.4909
 Delta2 Fr= 1--     -0.6475                -0.5328                 0.5331
 Raman1 Fr= 1--       7.915                  9.068                 14.164
 ROA1   Fr= 1--    -270.755               -131.730                160.187
 CID1   Fr= 1--     -34.209                -14.527                 11.309
 Raman2 Fr= 1--       3.311                  3.858                  3.572
 ROA2   Fr= 1--     -57.329                -24.409                 31.517
 CID2   Fr= 1--     -17.316                 -6.327                  8.823
 Raman3 Fr= 1--       6.621                  7.716                  7.144
 ROA3   Fr= 1--    -270.755               -131.730                160.187
 CID3   Fr= 1--     -40.891                -17.072                 22.422
 RC180  Fr= 1--       0.673                  0.702                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.00     0.01   0.00  -0.00    -0.03   0.02   0.00
     2   6     0.01   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
     3   6    -0.00  -0.05  -0.00     0.01   0.03   0.00    -0.00   0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.01
     5   6    -0.02  -0.02  -0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.00
     6   6    -0.00   0.00   0.00     0.00   0.01  -0.00     0.00  -0.01  -0.00
     7   6    -0.00  -0.00  -0.02     0.01   0.00   0.04    -0.02  -0.01  -0.05
     8   1    -0.22   0.05  -0.16    -0.06   0.02  -0.04     0.23  -0.05   0.16
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1    -0.02  -0.02   0.00    -0.04  -0.00   0.01     0.01  -0.01  -0.01
    11   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.01     0.01   0.00  -0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.01
    13   6    -0.01  -0.03  -0.01    -0.01  -0.01   0.02     0.00  -0.01  -0.01
    14   1     0.02   0.00  -0.01    -0.00   0.01   0.01     0.01  -0.01   0.00
    15   1     0.11  -0.02   0.10    -0.23   0.05  -0.23     0.33  -0.05   0.31
    16   1    -0.05   0.06   0.12     0.12  -0.13  -0.27    -0.16   0.20   0.37
    17   1     0.06   0.17  -0.10     0.20   0.40  -0.12     0.05   0.19  -0.12
    18   1    -0.04   0.02   0.14    -0.18   0.20   0.19    -0.04   0.03   0.09
    19   1     0.17  -0.04  -0.09     0.18  -0.13  -0.22     0.16  -0.06  -0.12
    20   1    -0.06   0.37  -0.12     0.24   0.18  -0.06    -0.10   0.15  -0.05
    21   1     0.13   0.24   0.33    -0.13   0.02   0.08     0.06   0.12   0.16
    22   1     0.13  -0.20   0.01     0.04  -0.01  -0.30     0.04  -0.08   0.07
    23   1    -0.17   0.14   0.18    -0.05   0.03   0.05     0.17  -0.15  -0.19
    24   1     0.16   0.25   0.23    -0.11  -0.18  -0.16    -0.11  -0.21  -0.20
    25   1    -0.06   0.33  -0.18     0.04  -0.23   0.13     0.07  -0.28   0.15
    26   1    -0.01  -0.01   0.01    -0.02   0.01   0.01     0.04   0.04  -0.01
    27   1    -0.01   0.02  -0.02    -0.02   0.01  -0.03     0.01  -0.04   0.05
    28   1     0.01  -0.01  -0.03     0.02  -0.00  -0.00    -0.04   0.01   0.06
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3019.8670              3021.3210              3023.7470
 Red. masses --      1.0377                 1.0427                 1.0744
 Frc consts  --      5.5759                 5.6082                 5.7875
 IR Inten    --     22.2771                12.9046                 9.5695
 RamAct Fr= 1--    141.7301                 2.5619                61.8533
  Dep-P Fr= 1--      0.0176                 0.7334                 0.5648
  Dep-U Fr= 1--      0.0346                 0.8462                 0.7219
 Alpha2 Fr= 1--      3.0225                 0.0007                 0.2169
 Beta2  Fr= 1--      0.8171                 0.3613                 7.4420
 AlphaG Fr= 1--      0.0704                -0.0060                -0.2257
 Gamma2 Fr= 1--     -1.1415                 3.8840               -13.4256
 Delta2 Fr= 1--     -0.4009                 2.2837               -12.1898
 Raman1 Fr= 1--     566.920                 10.248                247.413
 ROA1   Fr= 1--    -122.417                445.938              -1678.929
 CID1   Fr= 1--      -0.216                 43.516                 -6.786
 Raman2 Fr= 1--       9.805                  4.336                 89.304
 ROA2   Fr= 1--     -24.189                 74.945               -224.695
 CID2   Fr= 1--      -2.467                 17.285                 -2.516
 Raman3 Fr= 1--      19.610                  8.672                178.607
 ROA3   Fr= 1--    -122.417                445.938              -1678.929
 CID3   Fr= 1--      -6.243                 51.424                 -9.400
 RC180  Fr= 1--      -0.931                  0.692                  0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00   0.00   0.01     0.01   0.00   0.02
     2   6     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.01   0.01  -0.06
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.03   0.03   0.07     0.02  -0.02  -0.04     0.03  -0.03  -0.04
     9   6    -0.04  -0.02  -0.02    -0.01  -0.00   0.00    -0.01  -0.01   0.01
    10   1    -0.04   0.02  -0.19     0.05  -0.03   0.26     0.14  -0.10   0.79
    11   1     0.01   0.01  -0.00    -0.01  -0.01   0.01     0.05   0.03  -0.03
    12   6    -0.00  -0.00  -0.00     0.02  -0.00   0.03    -0.01   0.00   0.00
    13   6     0.00  -0.00   0.00    -0.03   0.01  -0.01     0.02  -0.01   0.00
    14   1     0.00  -0.12   0.00    -0.00   0.05  -0.00    -0.00   0.13  -0.00
    15   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.01
    16   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.02  -0.01   0.01
    17   1    -0.02   0.01   0.01     0.18  -0.11  -0.07     0.03  -0.02  -0.01
    18   1     0.04   0.03   0.00    -0.36  -0.26  -0.04     0.03   0.02   0.00
    19   1     0.01  -0.04   0.02    -0.06   0.37  -0.24     0.00  -0.01   0.01
    20   1     0.00   0.00   0.01    -0.02  -0.06  -0.23     0.01   0.04   0.14
    21   1    -0.00   0.01  -0.01     0.05  -0.36   0.25    -0.03   0.21  -0.15
    22   1    -0.01  -0.01  -0.00     0.35   0.27   0.05    -0.22  -0.16  -0.03
    23   1    -0.03   0.00  -0.04    -0.04   0.00  -0.05    -0.18   0.02  -0.20
    24   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.05  -0.12   0.11
    25   1    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.01  -0.01  -0.02
    26   1     0.10  -0.03   0.63     0.01  -0.00   0.04    -0.00  -0.00  -0.01
    27   1     0.41  -0.20  -0.26     0.08  -0.04  -0.05     0.14  -0.07  -0.08
    28   1    -0.06   0.48  -0.14    -0.01   0.09  -0.02    -0.02   0.15  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3026.9132              3027.8711              3038.4451
 Red. masses --      1.0530                 1.0566                 1.0767
 Frc consts  --      5.6843                 5.7074                 5.8566
 IR Inten    --     26.0919                45.8577                82.6128
 RamAct Fr= 1--    120.3138               182.5365                44.7541
  Dep-P Fr= 1--      0.1510                 0.1282                 0.4269
  Dep-U Fr= 1--      0.2624                 0.2273                 0.5983
 Alpha2 Fr= 1--      1.8552                 2.9805                 0.3003
 Beta2  Fr= 1--      5.2617                 6.9164                 4.4629
 AlphaG Fr= 1--      0.3453                -0.1804                 0.3317
 Gamma2 Fr= 1--     18.0547                 0.4755                 5.0041
 Delta2 Fr= 1--      6.9976                 6.1368                 5.1546
 Raman1 Fr= 1--     481.255                730.146                179.016
 ROA1   Fr= 1--    1957.173                242.026                645.345
 CID1   Fr= 1--       4.067                  0.331                  3.605
 Raman2 Fr= 1--      63.141                 82.997                 53.555
 ROA2   Fr= 1--     377.332                -37.682                 78.862
 CID2   Fr= 1--       5.976                 -0.454                  1.473
 Raman3 Fr= 1--     126.281                165.993                107.109
 ROA3   Fr= 1--    1957.173                242.026                645.345
 CID3   Fr= 1--      15.499                  1.458                  6.025
 RC180  Fr= 1--      -0.475                 -0.545                  0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.02  -0.01  -0.00     0.03  -0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.02
     3   6     0.00  -0.04   0.01    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
     4   6     0.01   0.01  -0.01    -0.02  -0.01   0.01     0.01   0.01  -0.01
     5   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.01  -0.00    -0.00   0.02   0.00     0.00  -0.06   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.08  -0.09  -0.17    -0.08   0.09   0.16    -0.12   0.13   0.25
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    10   1     0.00  -0.00   0.01    -0.05   0.03  -0.26    -0.04   0.03  -0.22
    11   1    -0.11  -0.08   0.07     0.19   0.13  -0.12    -0.09  -0.07   0.06
    12   6     0.01   0.00   0.02     0.02  -0.00   0.02     0.00   0.00   0.01
    13   6     0.02  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.00   0.00
    14   1     0.01  -0.13   0.00     0.01  -0.20   0.00    -0.03   0.76   0.00
    15   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.04  -0.03  -0.04
    16   1    -0.04   0.01  -0.02     0.01  -0.00   0.01    -0.02   0.01  -0.01
    17   1     0.13  -0.08  -0.06     0.12  -0.08  -0.05     0.03  -0.02  -0.01
    18   1    -0.24  -0.18  -0.03    -0.32  -0.23  -0.03    -0.07  -0.05  -0.01
    19   1    -0.04   0.25  -0.16    -0.05   0.32  -0.21    -0.01   0.06  -0.04
    20   1     0.01   0.05   0.17     0.01   0.04   0.14     0.00   0.01   0.05
    21   1    -0.04   0.26  -0.18    -0.03   0.20  -0.14    -0.01   0.06  -0.04
    22   1    -0.24  -0.18  -0.03    -0.20  -0.15  -0.03    -0.07  -0.05  -0.01
    23   1     0.19  -0.02   0.22    -0.12   0.01  -0.14    -0.25   0.02  -0.29
    24   1    -0.14   0.37  -0.37     0.12  -0.31   0.31    -0.04   0.11  -0.11
    25   1     0.13   0.13   0.24    -0.10  -0.10  -0.19     0.08   0.09   0.16
    26   1     0.01  -0.00   0.04    -0.00   0.00  -0.02     0.01  -0.00   0.07
    27   1     0.02  -0.01  -0.01    -0.06   0.03   0.04     0.02  -0.00  -0.01
    28   1    -0.01   0.05  -0.01     0.01  -0.08   0.02     0.01  -0.06   0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3039.7185              3050.1306              3055.0251
 Red. masses --      1.0732                 1.0805                 1.0976
 Frc consts  --      5.8424                 5.9226                 6.0356
 IR Inten    --     34.6523                70.2164                17.8729
 RamAct Fr= 1--    187.0114               207.9434               111.0898
  Dep-P Fr= 1--      0.0992                 0.1342                 0.2311
  Dep-U Fr= 1--      0.1804                 0.2367                 0.3754
 Alpha2 Fr= 1--      3.2810                 3.3450                 1.3874
 Beta2  Fr= 1--      5.6236                 8.2028                 6.9512
 AlphaG Fr= 1--      0.0481                -0.7410                 0.1158
 Gamma2 Fr= 1--     -6.6448               -18.3272                -3.9022
 Delta2 Fr= 1--      2.7273                -9.2303                -6.3213
 Raman1 Fr= 1--     748.046                831.774                444.359
 ROA1   Fr= 1--    -550.629              -2054.782               -576.895
 CID1   Fr= 1--      -0.736                 -2.470                 -1.298
 Raman2 Fr= 1--      67.484                 98.433                 83.415
 ROA2   Fr= 1--    -181.294               -366.011                -43.083
 CID2   Fr= 1--      -2.686                 -3.718                 -0.516
 Raman3 Fr= 1--     134.967                196.867                166.830
 ROA3   Fr= 1--    -550.629              -2054.782               -576.895
 CID3   Fr= 1--      -4.080                -10.437                 -3.458
 RC180  Fr= 1--      -0.639                 -0.527                 -0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.02     0.01   0.00   0.02     0.01  -0.02  -0.04
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   6     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.03  -0.01   0.06
     4   6    -0.02  -0.01   0.01    -0.05  -0.03   0.03    -0.01  -0.01   0.01
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
     8   1     0.10  -0.12  -0.23     0.04  -0.05  -0.08    -0.24   0.26   0.47
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
    10   1    -0.00   0.00  -0.02    -0.01   0.01  -0.05     0.03  -0.02   0.15
    11   1     0.26   0.18  -0.17     0.60   0.40  -0.38     0.15   0.10  -0.10
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.54   0.00    -0.00  -0.05   0.00     0.00  -0.06  -0.00
    15   1     0.04  -0.03  -0.03    -0.08   0.06   0.08    -0.03   0.02   0.03
    16   1    -0.11   0.03  -0.06     0.16  -0.05   0.08     0.04  -0.01   0.02
    17   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.03   0.02   0.01
    18   1    -0.03  -0.02  -0.00     0.04   0.03   0.00     0.02   0.01   0.00
    19   1    -0.01   0.04  -0.03     0.01  -0.05   0.04    -0.00   0.03  -0.02
    20   1     0.00   0.01   0.02    -0.00  -0.01  -0.03     0.00  -0.00  -0.01
    21   1    -0.00   0.01  -0.00     0.01  -0.05   0.03     0.00  -0.02   0.02
    22   1    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.01  -0.00
    23   1     0.39  -0.04   0.44    -0.13   0.01  -0.14     0.06  -0.01   0.06
    24   1     0.04  -0.10   0.11    -0.06   0.15  -0.15    -0.13   0.37  -0.34
    25   1    -0.12  -0.13  -0.23     0.17   0.19   0.32    -0.22  -0.25  -0.41
    26   1     0.01  -0.00   0.08    -0.00  -0.00  -0.00    -0.02   0.00  -0.09
    27   1     0.05  -0.02  -0.03    -0.01   0.00   0.00     0.03  -0.02  -0.02
    28   1    -0.00   0.05  -0.01     0.00  -0.02   0.01    -0.01   0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3070.0185              3070.9889              3075.4809
 Red. masses --      1.1009                 1.0745                 1.0966
 Frc consts  --      6.1135                 5.9703                 6.1112
 IR Inten    --      0.3110                 6.0774                33.4201
 RamAct Fr= 1--     16.9306               246.1375                83.6171
  Dep-P Fr= 1--      0.5388                 0.0306                 0.3787
  Dep-U Fr= 1--      0.7003                 0.0593                 0.5494
 Alpha2 Fr= 1--      0.0688                 5.0910                 0.6672
 Beta2  Fr= 1--      1.9761                 2.4345                 7.6561
 AlphaG Fr= 1--     -0.1416                -0.6303                 0.2278
 Gamma2 Fr= 1--      5.2059                14.1320               -52.9830
 Delta2 Fr= 1--      0.9059                 7.6419               -33.5293
 Raman1 Fr= 1--      67.723                984.550                334.468
 ROA1   Fr= 1--     528.753               1601.218              -6159.309
 CID1   Fr= 1--       7.808                  1.626                -18.415
 Raman2 Fr= 1--      23.714                 29.214                 91.874
 ROA2   Fr= 1--     117.693                278.034              -1003.358
 CID2   Fr= 1--       4.963                  9.517                -10.921
 Raman3 Fr= 1--      47.427                 58.428                183.747
 ROA3   Fr= 1--     528.753               1601.218              -6159.309
 CID3   Fr= 1--      11.149                 27.405                -33.521
 RC180  Fr= 1--       0.401                 -0.881                  0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01    -0.01   0.01   0.03     0.01   0.01   0.05
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.01   0.02     0.02  -0.00   0.04
     4   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.04   0.00  -0.05     0.02  -0.00   0.02
     8   1     0.04  -0.04  -0.07     0.13  -0.14  -0.25     0.18  -0.19  -0.34
     9   6     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01   0.01  -0.04
    10   1    -0.00   0.00  -0.03    -0.01   0.01  -0.08     0.00   0.00  -0.00
    11   1    -0.03  -0.02   0.02    -0.11  -0.07   0.07     0.05   0.04  -0.03
    12   6    -0.03  -0.06   0.02     0.01   0.01  -0.00     0.00  -0.00  -0.00
    13   6     0.02   0.05  -0.01     0.00  -0.01   0.01    -0.01  -0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00   0.11  -0.00     0.00  -0.05   0.00
    15   1    -0.02   0.01   0.02    -0.20   0.16   0.19     0.11  -0.09  -0.11
    16   1     0.07  -0.02   0.03     0.67  -0.21   0.34    -0.31   0.10  -0.16
    17   1    -0.01  -0.02   0.01    -0.02   0.02   0.01    -0.03   0.02   0.01
    18   1     0.46   0.32   0.06    -0.08  -0.06  -0.01     0.01   0.01   0.00
    19   1    -0.09   0.47  -0.32     0.01  -0.03   0.02    -0.00   0.01  -0.01
    20   1     0.01   0.01  -0.01    -0.00  -0.02  -0.04     0.00   0.01   0.05
    21   1     0.06  -0.32   0.22    -0.02   0.09  -0.06    -0.01   0.06  -0.04
    22   1    -0.32  -0.24  -0.05     0.00   0.00   0.00     0.10   0.08   0.01
    23   1    -0.03   0.00  -0.04    -0.07   0.01  -0.06    -0.28   0.03  -0.30
    24   1    -0.00   0.01  -0.01    -0.02   0.06  -0.06    -0.07   0.19  -0.18
    25   1    -0.01  -0.02  -0.03    -0.12  -0.14  -0.23    -0.16  -0.19  -0.30
    26   1     0.01  -0.00   0.05     0.01  -0.00   0.05     0.06  -0.02   0.35
    27   1    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.16   0.08   0.09
    28   1     0.00  -0.03   0.01     0.00  -0.01   0.00     0.03  -0.23   0.05
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3076.7280              3081.3466              3086.0948
 Red. masses --      1.1004                 1.1001                 1.1006
 Frc consts  --      6.1372                 6.1541                 6.1758
 IR Inten    --     61.9016                66.6751                55.1578
 RamAct Fr= 1--    153.1243                78.6618                69.9966
  Dep-P Fr= 1--      0.7500                 0.6647                 0.7217
  Dep-U Fr= 1--      0.8571                 0.7986                 0.8383
 Alpha2 Fr= 1--      0.0000                 0.1194                 0.0341
 Beta2  Fr= 1--     21.8747                10.4696                 9.7803
 AlphaG Fr= 1--      0.0013                 0.0740                -0.0601
 Gamma2 Fr= 1--     -6.4803                47.8374                 0.2119
 Delta2 Fr= 1--     -3.1943                30.6653                 3.0554
 Raman1 Fr= 1--     612.497                314.647                279.987
 ROA1   Fr= 1--    -724.327               5573.676                118.112
 CID1   Fr= 1--      -1.183                 17.714                  0.422
 Raman2 Fr= 1--     262.497                125.636                117.363
 ROA2   Fr= 1--    -129.973                902.775                -19.359
 CID2   Fr= 1--      -0.495                  7.186                 -0.165
 Raman3 Fr= 1--     524.994                251.271                234.727
 ROA3   Fr= 1--    -724.327               5573.676                118.112
 CID3   Fr= 1--      -1.380                 22.182                  0.503
 RC180  Fr= 1--       0.714                  0.597                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.00   0.01   0.03     0.00   0.01   0.02
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     8   1    -0.03   0.03   0.05     0.09  -0.10  -0.18     0.07  -0.08  -0.13
     9   6    -0.00   0.00   0.00    -0.04   0.03   0.07     0.03  -0.07   0.03
    10   1     0.00  -0.00  -0.00    -0.03   0.02  -0.19    -0.03   0.02  -0.15
    11   1     0.02   0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.01
    12   6    -0.02  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.06   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.03   0.00     0.00  -0.02   0.00    -0.00   0.05   0.00
    15   1    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.05  -0.04  -0.05
    16   1     0.04  -0.01   0.02    -0.11   0.03  -0.05    -0.07   0.02  -0.04
    17   1     0.00  -0.01   0.00    -0.03   0.02   0.01    -0.03   0.02   0.01
    18   1     0.33   0.23   0.05    -0.00  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.06   0.33  -0.23    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    20   1    -0.01  -0.02  -0.00     0.00   0.01   0.04     0.00   0.01   0.04
    21   1    -0.09   0.46  -0.32     0.00  -0.01   0.01    -0.00   0.00  -0.00
    22   1     0.45   0.33   0.07     0.01   0.01   0.00     0.02   0.02   0.00
    23   1     0.04  -0.00   0.04    -0.12   0.02  -0.12    -0.12   0.02  -0.14
    24   1     0.01  -0.03   0.03    -0.02   0.06  -0.05    -0.02   0.05  -0.04
    25   1     0.03   0.03   0.05    -0.05  -0.06  -0.10    -0.04  -0.05  -0.08
    26   1    -0.01   0.00  -0.03    -0.11   0.03  -0.52    -0.06   0.00  -0.37
    27   1     0.03  -0.01  -0.02     0.58  -0.27  -0.34    -0.26   0.11   0.17
    28   1    -0.00   0.00   0.00     0.01  -0.12   0.05    -0.08   0.75  -0.20
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3105.7597              3120.3603              3128.1721
 Red. masses --      1.0993                 1.0943                 1.0984
 Frc consts  --      6.2472                 6.2775                 6.3330
 IR Inten    --     33.7823                26.6740                41.6252
 RamAct Fr= 1--     21.9405                51.9925               112.9245
  Dep-P Fr= 1--      0.7400                 0.4880                 0.4429
  Dep-U Fr= 1--      0.8506                 0.6559                 0.6139
 Alpha2 Fr= 1--      0.0037                 0.2712                 0.7122
 Beta2  Fr= 1--      3.1104                 5.6839                11.5534
 AlphaG Fr= 1--     -0.0141                -0.0563                 0.1750
 Gamma2 Fr= 1--     -3.3198                 1.7655                 2.8931
 Delta2 Fr= 1--     -2.0475                 0.6621                 1.6351
 Raman1 Fr= 1--      87.762                207.970                451.698
 ROA1   Fr= 1--    -384.218                190.674                330.057
 CID1   Fr= 1--      -4.378                  0.917                  0.731
 Raman2 Fr= 1--      37.325                 68.207                138.641
 ROA2   Fr= 1--     -63.295                 37.075                 56.353
 CID2   Fr= 1--      -1.696                  0.544                  0.406
 Raman3 Fr= 1--      74.649                136.415                277.283
 ROA3   Fr= 1--    -384.218                190.674                330.057
 CID3   Fr= 1--      -5.147                  1.398                  1.190
 RC180  Fr= 1--       0.701                  0.312                  0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.07  -0.04  -0.03
     8   1    -0.01   0.01   0.02     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.02    -0.01   0.01  -0.06    -0.00   0.00  -0.01
    11   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00    -0.04  -0.02   0.02
    12   6     0.00  -0.00  -0.00    -0.07   0.04   0.02     0.00  -0.00  -0.00
    13   6    -0.02  -0.02  -0.08    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
    14   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.05  -0.00
    15   1     0.17  -0.14  -0.19    -0.02   0.01   0.02    -0.51   0.42   0.55
    16   1     0.19  -0.06   0.11     0.00  -0.00   0.00    -0.28   0.08  -0.16
    17   1    -0.03   0.02   0.01     0.74  -0.47  -0.35    -0.03   0.02   0.01
    18   1    -0.00   0.00   0.00     0.15   0.13   0.02    -0.01  -0.01  -0.00
    19   1    -0.00   0.00  -0.00     0.01  -0.17   0.12    -0.00   0.01  -0.00
    20   1     0.05   0.24   0.83     0.00   0.01   0.04     0.02   0.10   0.33
    21   1     0.03  -0.20   0.12     0.00  -0.01   0.01     0.01  -0.06   0.04
    22   1     0.19   0.14   0.01     0.01   0.01  -0.00     0.06   0.04   0.00
    23   1     0.03  -0.00   0.03    -0.02   0.00  -0.02    -0.02   0.00  -0.02
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1     0.01   0.01   0.02    -0.03  -0.04  -0.06    -0.00  -0.00  -0.01
    26   1     0.01  -0.00   0.03    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    27   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.02   0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Molecular mass:   138.14085 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   918.032861552.462781670.45487
           X            0.99998  -0.00141   0.00537
           Y            0.00121   0.99931   0.03704
           Z           -0.00542  -0.03704   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09435     0.05579     0.05185
 Rotational constants (GHZ):           1.96588     1.16250     1.08039
 Zero-point vibrational energy     682224.1 (Joules/Mol)
                                  163.05547 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    182.69   253.70   289.52   307.98   331.33
          (Kelvin)            374.95   435.24   448.89   553.07   561.14
                              619.30   650.31   693.58   757.21   832.43
                              960.93  1132.28  1137.04  1195.74  1241.56
                             1277.97  1304.38  1340.14  1369.73  1390.32
                             1394.39  1455.01  1459.30  1478.13  1520.94
                             1547.79  1587.22  1598.09  1621.15  1698.02
                             1717.20  1766.47  1774.27  1784.40  1802.26
                             1825.09  1871.85  1903.75  1917.40  1943.48
                             1955.99  1980.31  2002.21  2020.34  2030.96
                             2046.58  2138.40  2140.71  2149.53  2156.29
                             2156.79  2165.92  2168.41  2186.07  2196.74
                             4344.92  4347.01  4350.50  4355.05  4356.43
                             4371.64  4373.48  4388.46  4395.50  4417.07
                             4418.47  4424.93  4426.73  4433.37  4440.20
                             4468.50  4489.50  4500.74
 
 Zero-point correction=                           0.259845 (Hartree/Particle)
 Thermal correction to Energy=                    0.269843
 Thermal correction to Enthalpy=                  0.270787
 Thermal correction to Gibbs Free Energy=         0.226038
 Sum of electronic and zero-point Energies=           -391.815244
 Sum of electronic and thermal Energies=              -391.805246
 Sum of electronic and thermal Enthalpies=            -391.804302
 Sum of electronic and thermal Free Energies=         -391.849052
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  169.329             41.382             94.184
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.681
 Rotational               0.889              2.981             29.255
 Vibrational            167.552             35.421             24.247
 Vibration     1          0.611              1.926              2.991
 Vibration     2          0.628              1.872              2.367
 Vibration     3          0.638              1.838              2.122
 Vibration     4          0.644              1.820              2.009
 Vibration     5          0.652              1.795              1.877
 Vibration     6          0.669              1.745              1.658
 Vibration     7          0.694              1.669              1.403
 Vibration     8          0.700              1.651              1.352
 Vibration     9          0.753              1.503              1.022
 Vibration    10          0.758              1.492              1.000
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.811              1.356              0.790
 Vibration    13          0.838              1.290              0.705
 Vibration    14          0.881              1.192              0.596
 Vibration    15          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.107151-103       -103.970005       -239.399784
 Total V=0       0.355214D+16         15.550490         35.806327
 Vib (Bot)       0.303987-117       -117.517145       -270.593226
 Vib (Bot)    1  0.160671D+01          0.205937          0.474187
 Vib (Bot)    2  0.114048D+01          0.057086          0.131445
 Vib (Bot)    3  0.990419D+00         -0.004181         -0.009627
 Vib (Bot)    4  0.926360D+00         -0.033220         -0.076492
 Vib (Bot)    5  0.855174D+00         -0.067946         -0.156451
 Vib (Bot)    6  0.745084D+00         -0.127795         -0.294258
 Vib (Bot)    7  0.627775D+00         -0.202196         -0.465573
 Vib (Bot)    8  0.605379D+00         -0.217972         -0.501900
 Vib (Bot)    9  0.468905D+00         -0.328916         -0.757356
 Vib (Bot)   10  0.460319D+00         -0.336941         -0.775835
 Vib (Bot)   11  0.404655D+00         -0.392915         -0.904721
 Vib (Bot)   12  0.378791D+00         -0.421601         -0.970772
 Vib (Bot)   13  0.346328D+00         -0.460513         -1.060370
 Vib (Bot)   14  0.304933D+00         -0.515795         -1.187662
 Vib (Bot)   15  0.263753D+00         -0.578802         -1.332742
 Vib (V=0)       0.100774D+03          2.003351          4.612885
 Vib (V=0)    1  0.218271D+01          0.338996          0.780567
 Vib (V=0)    2  0.174526D+01          0.241861          0.556906
 Vib (V=0)    3  0.160947D+01          0.206684          0.475907
 Vib (V=0)    4  0.155268D+01          0.191083          0.439985
 Vib (V=0)    5  0.149062D+01          0.173366          0.399190
 Vib (V=0)    6  0.139730D+01          0.145290          0.334543
 Vib (V=0)    7  0.130256D+01          0.114798          0.264331
 Vib (V=0)    8  0.128517D+01          0.108959          0.250887
 Vib (V=0)    9  0.118547D+01          0.073891          0.170141
 Vib (V=0)   10  0.117963D+01          0.071745          0.165199
 Vib (V=0)   11  0.114323D+01          0.058134          0.133858
 Vib (V=0)   12  0.112728D+01          0.052032          0.119809
 Vib (V=0)   13  0.110823D+01          0.044630          0.102764
 Vib (V=0)   14  0.108565D+01          0.035689          0.082178
 Vib (V=0)   15  0.106530D+01          0.027473          0.063258
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.638171D+08          7.804937         17.971532
 Rotational      0.552335D+06          5.742203         13.221910
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004039   -0.000026074    0.000013452
      2        6           0.000007966    0.000026585    0.000003598
      3        6           0.000036680    0.000008815    0.000021338
      4        6          -0.000078438    0.000028946   -0.000026848
      5        6           0.000068266   -0.000050693    0.000042459
      6        6           0.000000817   -0.000040430   -0.000004492
      7        6           0.000012142    0.000029831   -0.000009440
      8        1          -0.000000875    0.000000881    0.000001624
      9        6           0.000004673   -0.000001232   -0.000005313
     10        1          -0.000001833   -0.000010544   -0.000009475
     11        1          -0.000000232    0.000008767   -0.000002480
     12        6          -0.000001884   -0.000002111    0.000014370
     13        6          -0.000007366    0.000014509   -0.000005854
     14        1          -0.000002414   -0.000000985    0.000000003
     15        1           0.000007783   -0.000010205    0.000009792
     16        1          -0.000009209    0.000005097    0.000007028
     17        1          -0.000017976    0.000015316   -0.000026458
     18        1           0.000002135   -0.000001949   -0.000001129
     19        1           0.000003516    0.000000350    0.000000649
     20        1          -0.000006504    0.000004120   -0.000003570
     21        1           0.000001640   -0.000003894   -0.000003631
     22        1          -0.000000243   -0.000000651   -0.000001177
     23        1           0.000001415   -0.000006355   -0.000003842
     24        1           0.000001036    0.000001866    0.000002421
     25        1          -0.000015813    0.000004784   -0.000012507
     26        1           0.000001004    0.000004222   -0.000001000
     27        1          -0.000001523    0.000002167    0.000000111
     28        1          -0.000000723   -0.000001132    0.000000372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000078438 RMS     0.000017681
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.127375D+03 -0.695794D-02  0.649135D+00
      2  -0.695794D-02  0.113911D+03 -0.491882D-01
      3   0.649135D+00 -0.491882D-01  0.109738D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.245410D+01  0.945348D+00  0.288857D+01
      2   0.299586D+01 -0.705833D+00  0.656476D+01
      3   0.416628D+01  0.278335D+01 -0.175023D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.472561D+01 -0.210685D+02  0.113007D+02
      2  -0.652993D+01  0.102155D+02 -0.384617D+01
      3   0.112555D+02  0.108530D+02 -0.745454D+01
      4  -0.290827D+02 -0.100065D+02  0.270796D+01
      5   0.180267D+02  0.169879D+01  0.169487D+02
      6   0.595938D+00  0.394101D+01 -0.434790D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.859199D+00 -0.284446D+01  0.120112D+01 -0.321789D+01  0.481277D-01
      2  -0.284446D+01 -0.669551D+00  0.121575D+01  0.481277D-01  0.320883D+01
      3   0.120112D+01  0.121575D+01  0.277783D+01  0.172450D+01 -0.129530D+01
                 6             7             8             9            10 
      1   0.172450D+01  0.927211D+00  0.204048D+01  0.426003D+01 -0.875733D-01
      2  -0.129530D+01  0.204048D+01 -0.206998D+01 -0.214253D+01  0.374611D+01
      3  -0.152646D+01  0.426003D+01 -0.214253D+01 -0.287744D+00  0.160393D+01
                11            12            13            14            15 
      1   0.374611D+01  0.160393D+01  0.461972D+01  0.810659D+00  0.148070D+00
      2   0.149357D+01 -0.194142D+00  0.810659D+00 -0.528659D+01  0.588932D+00
      3  -0.194142D+00 -0.207764D+01  0.148070D+00  0.588932D+00  0.113233D+01
                16            17            18            19            20 
      1   0.283306D+01  0.442517D-01 -0.237944D+01  0.924266D+00  0.178042D+01
      2   0.442517D-01  0.179572D+01  0.128145D+01  0.178042D+01  0.592314D+00
      3  -0.237944D+01  0.128145D+01 -0.604367D+01 -0.743459D+00 -0.332639D+01
                21            22            23            24            25 
      1  -0.743459D+00  0.238801D+01  0.502944D+00 -0.321397D+01 -0.578268D+00
      2  -0.332639D+01  0.502944D+00 -0.372125D+01  0.147948D+01 -0.390049D+01
      3  -0.704870D+00 -0.321397D+01  0.147948D+01 -0.237567D+01 -0.844462D+00
                26            27            28            29            30 
      1  -0.390049D+01 -0.844462D+00 -0.266512D+01 -0.244166D+01  0.800877D+00
      2   0.208250D+01 -0.396304D+01 -0.244166D+01 -0.191324D+01  0.467938D+01
      3  -0.396304D+01 -0.406260D+00  0.800877D+00  0.467938D+01 -0.132099D+01
                31            32            33            34            35 
      1  -0.264529D+01 -0.171540D+01  0.482683D+01  0.767001D+00  0.548666D+01
      2  -0.171540D+01  0.155688D+01  0.619737D+00  0.548666D+01 -0.817845D+00
      3   0.482683D+01  0.619737D+00  0.291103D+01 -0.162831D+01  0.223747D+01
                36            37            38            39            40 
      1  -0.162831D+01  0.483610D+01  0.501543D+01  0.330450D+01  0.591809D+01
      2   0.223747D+01  0.501543D+01  0.163660D+01 -0.170893D+01  0.253228D+01
      3  -0.900099D+00  0.330450D+01 -0.170893D+01  0.634904D+00 -0.235653D+01
                41            42            43            44            45 
      1   0.253228D+01 -0.235653D+01  0.458874D+01 -0.210815D+01  0.146930D+00
      2  -0.316661D+01  0.304826D+01 -0.210815D+01  0.451910D+01 -0.284429D+01
      3   0.304826D+01 -0.262213D+01  0.146930D+00 -0.284429D+01 -0.235785D+01
                46            47            48            49            50 
      1  -0.384938D+01 -0.331593D+01 -0.291104D+01 -0.400022D+01 -0.222227D+00
      2  -0.331593D+01 -0.389472D+00 -0.200944D+00 -0.222227D+00  0.883576D+01
      3  -0.291104D+01 -0.200944D+00 -0.135519D+01 -0.175674D+00 -0.896818D+00
                51            52            53            54            55 
      1  -0.175674D+00 -0.568435D+01 -0.487528D+00 -0.144963D+00  0.155663D+01
      2  -0.896818D+00 -0.487528D+00 -0.764010D+00 -0.202367D+01 -0.292452D+00
      3  -0.281346D+01 -0.144963D+00 -0.202367D+01  0.389511D+01  0.345157D+01
                56            57            58            59            60 
      1  -0.292452D+00  0.345157D+01 -0.538023D+00 -0.189940D+01 -0.333238D+01
      2  -0.184641D+01 -0.350530D+01 -0.189940D+01 -0.156044D+01 -0.176859D+01
      3  -0.350530D+01  0.693681D+00 -0.333238D+01 -0.176859D+01  0.248152D+01
                61            62            63            64            65 
      1   0.268741D+01 -0.261864D+01  0.582602D+00 -0.288975D+01  0.173104D+01
      2  -0.261864D+01 -0.159272D+01  0.206911D+01  0.173104D+01 -0.126321D+01
      3   0.582602D+00  0.206911D+01 -0.720288D+00  0.172144D+01 -0.105515D+01
                66            67            68            69            70 
      1   0.172144D+01  0.179999D+01 -0.163107D+01 -0.122366D+01  0.304536D+01
      2  -0.105515D+01 -0.163107D+01  0.231790D+01  0.188974D+01 -0.180819D+01
      3  -0.185643D+01 -0.122366D+01  0.188974D+01  0.169158D+01 -0.307249D+01
                71            72            73            74            75 
      1  -0.180819D+01 -0.307249D+01  0.151345D+01 -0.405179D+01 -0.285442D+01
      2   0.267299D+01  0.240037D+01 -0.405179D+01 -0.200900D+01  0.649429D+00
      3   0.240037D+01  0.416129D+01 -0.285442D+01  0.649429D+00  0.233537D+01
                76            77            78            79            80 
      1  -0.558433D+01 -0.522052D+00  0.506797D+00 -0.379246D+01  0.196428D+00
      2  -0.522052D+00  0.636157D+01 -0.209383D+01  0.196428D+00 -0.236856D+01
      3   0.506797D+00 -0.209383D+01 -0.608811D+00  0.311421D+01 -0.469326D-01
                81            82            83            84            85 
      1   0.311421D+01  0.674817D+00 -0.604464D+00  0.106939D+01 -0.902438D+00
      2  -0.469326D-01 -0.604464D+00 -0.160739D+00 -0.799907D-02 -0.243795D+00
      3   0.488691D+01  0.106939D+01 -0.799907D-02  0.683286D+00  0.135142D+00
                86            87            88            89            90 
      1  -0.243795D+00  0.135142D+00  0.198943D+01  0.279802D+00  0.433836D+00
      2  -0.367179D+00  0.111222D+01  0.279802D+00  0.117585D+01 -0.123136D+01
      3   0.111222D+01 -0.110408D+01  0.433836D+00 -0.123136D+01  0.771454D+01
                91            92            93            94            95 
      1   0.581959D+01  0.308011D+01 -0.250538D+01  0.249639D+01  0.223888D+01
      2   0.308011D+01  0.291812D+01 -0.193445D+01  0.223888D+01  0.350477D+01
      3  -0.250538D+01 -0.193445D+01  0.223695D+01 -0.164296D+01 -0.162131D+01
                96            97            98            99           100 
      1  -0.164296D+01 -0.199764D+01 -0.166879D+01  0.218152D+01 -0.173000D+01
      2  -0.162131D+01 -0.166879D+01 -0.146961D+01  0.158071D+01 -0.468078D+01
      3   0.126459D+01  0.218152D+01  0.158071D+01 -0.247031D+01 -0.319794D+01
               101           102           103           104           105 
      1  -0.468078D+01 -0.319794D+01 -0.509680D+01 -0.183828D+01  0.122075D+01
      2  -0.119212D+01  0.952191D+00 -0.183828D+01  0.130145D+01 -0.409884D+01
      3   0.952191D+00  0.561684D+00  0.122075D+01 -0.409884D+01  0.300603D+01
               106           107           108           109           110 
      1  -0.267833D+01  0.144624D+01  0.584722D+00 -0.220519D+01 -0.470143D+01
      2   0.144624D+01 -0.322776D+01  0.271147D+01 -0.470143D+01 -0.845578D+00
      3   0.584722D+00  0.271147D+01  0.183812D+01 -0.220025D+01  0.131687D+01
               111           112           113           114           115 
      1  -0.220025D+01 -0.572719D+01 -0.252425D+01  0.163897D+01 -0.245296D+01
      2   0.131687D+01 -0.252425D+01  0.325534D+01 -0.272035D+01  0.145677D+01
      3   0.454541D+00  0.163897D+01 -0.272035D+01  0.272900D+01 -0.467835D+00
               116           117           118           119           120 
      1   0.145677D+01 -0.467835D+00  0.120028D+00 -0.104412D+01  0.476776D+00
      2  -0.322655D+01  0.335499D+01 -0.104412D+01  0.562075D+00 -0.111621D+00
      3   0.335499D+01  0.425490D+01  0.476776D+00 -0.111621D+00  0.121584D+00
               121           122           123           124           125 
      1  -0.159019D+01 -0.308809D+00  0.128743D+00  0.810596D+00  0.975170D-01
      2  -0.308809D+00 -0.107453D+02  0.143482D+00  0.975170D-01  0.345539D+00
      3   0.128743D+00  0.143482D+00 -0.877207D+00 -0.964507D-01 -0.108742D+01
               126           127           128           129           130 
      1  -0.964507D-01  0.184065D+01 -0.963005D+00 -0.213425D+01 -0.107583D+01
      2  -0.108742D+01 -0.963005D+00  0.126404D+01  0.130226D+01  0.102410D+01
      3  -0.937840D-01 -0.213425D+01  0.130226D+01  0.273451D+01  0.119870D+01
               131           132           133           134           135 
      1   0.102410D+01  0.119870D+01 -0.189530D+01  0.963628D+00  0.195357D+01
      2  -0.169714D+01 -0.168943D+01  0.963628D+00 -0.153929D+01 -0.223153D+01
      3  -0.168943D+01 -0.279938D+01  0.195357D+01 -0.223153D+01 -0.584944D+01
               136           137           138           139           140 
      1  -0.483732D+01  0.382210D+00 -0.316788D+01  0.908777D+00 -0.666257D+00
      2   0.382210D+00 -0.810010D+00  0.665002D+00 -0.666257D+00  0.672723D+00
      3  -0.316788D+01  0.665002D+00 -0.379035D+01  0.101184D+01 -0.724181D+00
               141           142           143           144           145 
      1   0.101184D+01 -0.227668D+01  0.499890D+00 -0.230803D+01 -0.378490D+01
      2  -0.724181D+00  0.499890D+00 -0.487502D+00  0.132089D+00  0.170454D+01
      3   0.901911D+00 -0.230803D+01  0.132089D+00 -0.399163D+01  0.108321D+01
               146           147           148           149           150 
      1   0.170454D+01  0.108321D+01  0.202842D+01 -0.833004D+00 -0.769415D+00
      2  -0.123186D+01 -0.104014D+01 -0.833004D+00  0.140689D+01  0.165194D+01
      3  -0.104014D+01 -0.251316D+01 -0.769415D+00  0.165194D+01  0.128228D+01
               151           152           153           154           155 
      1   0.125863D+01 -0.842888D+00 -0.126559D+01  0.636283D+01  0.292387D+01
      2  -0.842888D+00  0.144558D+01  0.736184D+00  0.292387D+01  0.229259D+01
      3  -0.126559D+01  0.736184D+00  0.225794D+01  0.263127D+01  0.105572D+01
               156           157           158           159           160 
      1   0.263127D+01  0.357073D+01  0.243960D+01  0.128521D+01  0.809193D+00
      2   0.105572D+01  0.243960D+01  0.242760D+01  0.159724D+01  0.288050D+00
      3   0.232162D+01  0.128521D+01  0.159724D+01  0.125189D+01  0.111915D+01
               161           162           163           164           165 
      1   0.288050D+00  0.111915D+01  0.100971D+01 -0.352134D+00  0.128758D+01
      2   0.605641D+00  0.498470D+00 -0.352134D+00  0.599086D+00 -0.430393D+00
      3   0.498470D+00  0.859543D+00  0.128758D+01 -0.430393D+00  0.778119D+00
               166           167           168           169           170 
      1  -0.117273D+01  0.129157D+01 -0.138169D+01  0.116964D+01 -0.712276D+00
      2   0.129157D+01 -0.400861D+01  0.324792D+01 -0.712276D+00  0.211882D+01
      3  -0.138169D+01  0.324792D+01 -0.459585D+01  0.111931D+01 -0.251585D+01
               171           172           173           174           175 
      1   0.111931D+01  0.577349D+00  0.159069D+00 -0.530236D+00 -0.100156D+00
      2  -0.251585D+01  0.159069D+00  0.747888D-01  0.600197D-01  0.756433D+00
      3   0.446847D+01 -0.530236D+00  0.600197D-01  0.393526D+00  0.238771D+00
               176           177           178           179           180 
      1   0.756433D+00  0.238771D+00 -0.196031D+01  0.776812D+00  0.142927D+01
      2  -0.154838D+01 -0.105628D+01  0.776812D+00 -0.155135D+01 -0.221750D+01
      3  -0.105628D+01 -0.184585D+01  0.142927D+01 -0.221750D+01 -0.626076D+01
               181           182           183           184           185 
      1   0.154542D+01 -0.829779D+00  0.734851D+00 -0.215366D+01  0.300280D+01
      2  -0.829779D+00  0.855349D+00 -0.467449D+00  0.300280D+01 -0.643440D+01
      3   0.734851D+00 -0.467449D+00  0.270005D+00 -0.955252D+00  0.223540D+01
               186           187           188           189           190 
      1  -0.955252D+00  0.214114D+01 -0.162107D+01  0.107904D+01  0.895567D+01
      2   0.223540D+01 -0.162107D+01  0.322848D+01 -0.209446D+01  0.197207D+01
      3  -0.199090D+01  0.107904D+01 -0.209446D+01  0.166274D+01  0.295472D+00
               191           192           193           194           195 
      1   0.197207D+01  0.295472D+00  0.522928D+01  0.204189D+01 -0.113541D+00
      2   0.159100D+01  0.303772D-01  0.204189D+01  0.142635D+01  0.343147D+00
      3   0.303772D-01  0.855620D+00 -0.113541D+00  0.343147D+00  0.542883D+00
               196           197           198           199           200 
      1   0.964017D+00 -0.661788D-01  0.109517D+01 -0.445909D+01  0.101174D+01
      2  -0.661788D-01  0.505058D+00  0.118122D-01  0.101174D+01 -0.116878D+01
      3   0.109517D+01  0.118122D-01 -0.870170D-01 -0.211591D+01  0.390799D+00
               201           202           203           204           205 
      1  -0.211591D+01  0.594199D+00 -0.770539D+00  0.119316D+00 -0.354436D+01
      2   0.390799D+00 -0.770539D+00  0.819424D-01 -0.452969D+00  0.353441D+00
      3  -0.172742D+01  0.119316D+00 -0.452969D+00  0.352211D+00 -0.213357D+01
               206           207           208           209           210 
      1   0.353441D+00 -0.213357D+01 -0.123884D+01  0.130799D+01 -0.675229D+00
      2  -0.135403D+01  0.875268D+00  0.130799D+01 -0.176429D+01  0.104821D+01
      3   0.875268D+00 -0.249490D+01 -0.675229D+00  0.104821D+01 -0.435061D+00
               211           212           213           214           215 
      1   0.100007D+01 -0.134107D+01  0.749964D+00 -0.114558D+01  0.130376D+01
      2  -0.134107D+01  0.759924D+01 -0.304728D+01  0.130376D+01 -0.489492D+01
      3   0.749964D+00 -0.304728D+01  0.215826D+01 -0.517858D+00  0.344275D+01
               216           217           218           219           220 
      1  -0.517858D+00  0.164310D+01  0.961599D+00  0.112626D+01  0.825287D+00
      2   0.344275D+01  0.961599D+00  0.187643D+01  0.123630D+01  0.100954D+01
      3  -0.298021D+01  0.112626D+01  0.123630D+01  0.120579D+01  0.890942D+00
               221           222           223           224           225 
      1   0.100954D+01  0.890942D+00  0.154271D+01  0.119329D+01  0.116814D+01
      2   0.434446D+01  0.171890D+01  0.119329D+01  0.307441D+01  0.281518D+01
      3   0.171890D+01  0.191131D+01  0.116814D+01  0.281518D+01  0.323849D+01
               226           227           228           229           230 
      1  -0.136729D+01  0.186328D+00 -0.932279D+00  0.812891D+00 -0.244310D+00
      2   0.186328D+00 -0.541545D-01 -0.212861D+00 -0.244310D+00 -0.631556D+00
      3  -0.932279D+00 -0.212861D+00 -0.133184D+01 -0.814398D-01 -0.546472D+00
               231           232           233           234           235 
      1  -0.814398D-01 -0.284355D+01 -0.936128D+00 -0.225961D+01 -0.896083D+01
      2  -0.546472D+00 -0.936128D+00 -0.142302D+01 -0.643192D+00  0.612148D+00
      3   0.815724D-01 -0.225961D+01 -0.643192D+00 -0.622717D+01  0.277212D+01
               236           237           238           239           240 
      1   0.612148D+00  0.277212D+01  0.335023D+01 -0.963477D+00 -0.848527D+00
      2  -0.105289D+01 -0.312838D+00 -0.963477D+00  0.307657D+00  0.684535D+00
      3  -0.312838D+00 -0.188352D+01 -0.848527D+00  0.684535D+00  0.798841D+00
               241           242           243           244           245 
      1   0.424244D+01 -0.912001D-01 -0.250462D+01 -0.163512D+00 -0.452654D+00
      2  -0.912001D-01  0.110468D+01  0.212062D+00 -0.452654D+00  0.615359D+00
      3  -0.250462D+01  0.212062D+00  0.145865D+01  0.407905D+00 -0.936928D-01
               246           247           248           249           250 
      1   0.407905D+00 -0.173734D+01 -0.197489D+01  0.270488D+00  0.107322D+01
      2  -0.936928D-01 -0.197489D+01 -0.944194D+01  0.165073D+01  0.434524D+00
      3  -0.625475D-01  0.270488D+00  0.165073D+01 -0.133744D+01 -0.644290D+00
               251           252 
      1   0.434524D+00 -0.644290D+00
      2   0.211277D+01 -0.131759D+01
      3  -0.131759D+01  0.474440D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.479995D+01 -0.334144D+01 -0.332500D+01 -0.374444D+01  0.653183D+01
      2  -0.350437D+01 -0.211193D+01 -0.620300D+01 -0.262606D+01  0.302738D+01
      3  -0.825469D+01 -0.100761D+02  0.608736D+01 -0.348357D+01  0.694493D+01
                 6             7             8             9            10 
      1   0.824645D+00 -0.434759D+01  0.555947D+01 -0.501669D+00  0.453735D+01
      2   0.378926D+01 -0.143277D+02  0.474259D+01 -0.172879D+00 -0.388068D+01
      3  -0.101348D+00  0.753506D+01 -0.598188D+00  0.708477D+00  0.837048D+01
                11            12            13            14            15 
      1   0.238614D+01 -0.145776D+01  0.194163D+01 -0.384279D+01 -0.907069D+00
      2  -0.139348D+01  0.445019D+01 -0.172743D+01 -0.261616D+01 -0.177797D+01
      3  -0.422510D+01 -0.247310D+01  0.310242D+01 -0.112942D+02  0.148093D+01
                16            17            18            19            20 
      1  -0.522497D+00  0.627366D+01 -0.440182D+01  0.200391D+01  0.103390D+02
      2   0.585669D-01 -0.234687D+01  0.139368D+02 -0.207496D+01  0.135678D+01
      3  -0.268205D+01  0.320039D+01  0.206672D+01  0.341055D+01  0.469085D+01
                21            22            23            24            25 
      1   0.275580D+01  0.994936D+01 -0.316608D+01  0.514023D+01  0.430884D+01
      2   0.196326D+01  0.157239D+01  0.156832D-01 -0.547112D+00 -0.220048D+01
      3  -0.252214D+01  0.111582D+02  0.102706D+00 -0.817243D+01 -0.295372D+01
                26            27            28            29            30 
      1   0.133527D+02  0.359516D+01  0.101537D+01 -0.763428D+01 -0.508090D+01
      2  -0.143962D+01  0.143618D+01 -0.286734D+00  0.389074D+01  0.170442D+01
      3  -0.921845D+01 -0.272368D+01  0.211964D+01 -0.551831D+01 -0.205580D+01
                31            32            33            34            35 
      1  -0.724025D+01 -0.275987D+01 -0.764703D+01 -0.387011D+01 -0.818482D+00
      2   0.355742D+01  0.286810D+00  0.839130D+01 -0.492516D+01  0.101423D+02
      3   0.831956D+00 -0.381617D+01  0.617067D+01 -0.443844D+01  0.776006D+01
                36            37            38            39            40 
      1  -0.278589D+01  0.451678D+01  0.349721D+00 -0.995687D-01  0.193258D+01
      2  -0.184969D+01  0.503641D+01 -0.444281D+01  0.368282D+01 -0.613304D+01
      3  -0.363122D+01 -0.118319D+02 -0.104089D+02  0.165798D+01 -0.264203D+01
                41            42            43            44            45 
      1   0.730607D+00 -0.410325D+01 -0.935045D+00  0.459257D+01 -0.356989D+01
      2   0.664943D+01 -0.644654D+01 -0.670855D+01 -0.659310D+01 -0.633310D+01
      3   0.385837D+01 -0.519737D+01  0.117132D+01 -0.848498D+01  0.669562D+01
                46            47            48            49            50 
      1  -0.591114D+01 -0.653182D+00 -0.102847D+01  0.266427D+00 -0.152382D-02
      2  -0.178021D+01 -0.110595D+01  0.856312D+00 -0.138242D+00  0.296882D+00
      3   0.454065D+01  0.263702D+01  0.329383D+01  0.106530D+02  0.349422D+01
                51            52            53            54            55 
      1  -0.753192D+01 -0.278175D+01 -0.203111D+01  0.921952D+01  0.266186D+01
      2   0.219265D+01 -0.569705D+01 -0.166830D+00 -0.243653D+01  0.473260D+01
      3   0.518459D+00  0.651566D+01  0.196001D+00 -0.758993D+00 -0.444419D+00
                56            57            58            59            60 
      1   0.589055D+01  0.984547D+01  0.256946D+01  0.303430D+01  0.526614D+01
      2  -0.240422D+01  0.128693D+02 -0.226189D+01 -0.704576D+01 -0.103963D+02
      3  -0.156090D+01 -0.224162D+01  0.280890D+01  0.122631D+01  0.156984D+01
                61            62            63            64            65 
      1   0.867705D+01  0.849545D+01 -0.753613D+01 -0.170310D+01  0.284039D+00
      2   0.504015D+01 -0.753145D+01  0.543617D+00 -0.182146D+01  0.158142D+01
      3  -0.125285D+01  0.148943D+01  0.164011D+00 -0.117989D+01 -0.183890D+01
                66            67            68            69            70 
      1   0.293997D+01  0.143876D+01 -0.106049D+01 -0.309441D+01  0.374545D+01
      2   0.477996D+01  0.118616D+01 -0.342553D+01 -0.381266D+01  0.280341D+01
      3   0.195624D+00  0.179938D+01  0.258344D+01  0.139654D+01  0.186114D+01
                71            72            73            74            75 
      1   0.270280D+00 -0.599086D+01 -0.588909D+01 -0.558501D+00  0.360138D+01
      2  -0.403901D+01 -0.825541D+01  0.103027D+02 -0.131893D-01 -0.520541D+01
      3   0.438014D+01  0.150496D+00 -0.166026D+02 -0.165605D+01  0.619338D+01
                76            77            78            79            80 
      1  -0.119383D+00 -0.290981D+01 -0.230244D+01  0.532360D+01  0.157536D+01
      2  -0.102503D+00  0.698860D+01  0.131807D+01 -0.124146D+02 -0.122270D+01
      3   0.960671D+01  0.227461D+02 -0.808234D+01  0.609544D+01 -0.754330D+01
                81            82            83            84            85 
      1   0.741896D+01  0.273548D+00 -0.281246D+00  0.709904D+00 -0.233440D+00
      2  -0.169181D+02 -0.365580D+01  0.200128D+00 -0.184284D+01  0.565620D+00
      3  -0.445337D+01 -0.198137D+01 -0.269749D+00 -0.360628D+00  0.230703D+01
                86            87            88            89            90 
      1   0.360997D+00 -0.681094D+00  0.881941D+00  0.304526D+01  0.444911D+01
      2  -0.151631D+01  0.133664D+01 -0.678191D+01  0.140345D+01 -0.139740D+02
      3   0.463817D+00  0.193880D+01 -0.134999D+01  0.201417D+01 -0.142741D+01
                91            92            93            94            95 
      1  -0.392393D+00 -0.176722D+01 -0.200828D+01 -0.452672D+00 -0.265997D+01
      2   0.425693D+01  0.916329D+00  0.254299D+01  0.182365D+01  0.703244D+00
      3   0.548516D+01 -0.250498D+01 -0.851340D+00  0.322341D+01 -0.176279D+01
                96            97            98            99           100 
      1  -0.175558D+01 -0.937496D+00  0.178259D+01  0.248768D+01 -0.975020D+01
      2   0.915183D+00 -0.174314D+01 -0.416369D+00 -0.148029D+01 -0.219288D+01
      3  -0.406802D+00 -0.193341D+01  0.251492D+00  0.116345D+01  0.857370D+01
               101           102           103           104           105 
      1  -0.215077D+01  0.182349D+01 -0.510041D+01  0.268576D+01 -0.131549D+02
      2   0.117953D+02  0.117480D+02  0.136203D+02 -0.433900D+01  0.334052D+01
      3  -0.438876D+00 -0.268887D+01  0.461090D+01 -0.252284D+01  0.810794D+01
               106           107           108           109           110 
      1   0.367392D+01 -0.599487D+01  0.614751D+01 -0.923964D+00  0.168949D+01
      2   0.574286D+01  0.187060D+01  0.159854D+01 -0.692784D+01  0.264600D+01
      3  -0.349248D+01  0.637609D+01 -0.488634D+01  0.182646D+02  0.799495D+01
               111           112           113           114           115 
      1  -0.258319D+00  0.256036D+01 -0.430661D+01  0.290046D+01 -0.226136D+01
      2   0.174756D+01  0.237401D+01 -0.877276D+01  0.102919D+02 -0.613976D+01
      3  -0.179786D+01  0.169069D+02 -0.875140D+01  0.642074D+01 -0.165412D+01
               116           117           118           119           120 
      1   0.756352D+01  0.545422D+01  0.115568D+01 -0.135483D+00 -0.355900D-01
      2   0.121952D+02  0.154111D+02 -0.413011D+00 -0.159631D+00  0.104180D+01
      3   0.704722D+01 -0.103188D+02 -0.175761D+00 -0.367279D+00 -0.549490D+00
               121           122           123           124           125 
      1   0.352386D+00  0.254447D+01 -0.571166D+01  0.184036D+00 -0.288915D+00
      2  -0.571960D-01 -0.634690D+00  0.333989D+00 -0.142432D+01  0.161738D+00
      3   0.727113D+01 -0.135953D+01 -0.145272D+00 -0.138043D+01 -0.222712D+00
               126           127           128           129           130 
      1  -0.949926D-02  0.167462D+01 -0.412087D+01 -0.203606D+01 -0.246211D+01
      2   0.166170D-01  0.601264D+01 -0.245119D+01 -0.342254D+01 -0.364102D+01
      3  -0.225532D-01 -0.121925D+01 -0.673642D+00  0.916478D+00  0.231220D+01
               131           132           133           134           135 
      1   0.402710D+01  0.848979D+00 -0.208434D+01  0.446775D+01  0.251303D+01
      2   0.242922D+01  0.249529D+01 -0.713897D+01  0.250079D+01  0.231502D+01
      3  -0.108341D+00 -0.238673D+00  0.161289D+01  0.588103D+00 -0.497547D+00
               136           137           138           139           140 
      1  -0.179962D+01  0.431314D+01 -0.257069D+01  0.187654D+01 -0.241192D+01
      2  -0.148505D+02  0.102633D+01 -0.437144D+01  0.294163D+01 -0.151089D+01
      3   0.119044D+01 -0.278815D+01  0.120859D+01  0.539639D+00  0.628327D+00
               141           142           143           144           145 
      1   0.469560D-01 -0.169580D+01  0.281488D+01 -0.935957D+00  0.410622D+01
      2   0.204225D+01 -0.702388D+01  0.971773D+00 -0.390585D+01  0.142710D+02
      3  -0.311613D+00  0.316204D+00 -0.179403D+01  0.877285D+00 -0.543423D+01
               146           147           148           149           150 
      1  -0.416139D+01 -0.678281D+00 -0.278690D+01  0.372671D+01  0.173469D+01
      2  -0.590372D+01 -0.435236D+01 -0.715140D+01  0.470323D+01  0.301526D+01
      3   0.148371D+01  0.170185D+01  0.397719D+01 -0.214847D+01 -0.252883D+01
               151           152           153           154           155 
      1  -0.173713D+01  0.425015D+01  0.317006D+00  0.600568D+01  0.560318D+01
      2  -0.695816D+01  0.338728D+01  0.498577D+01 -0.865514D+01 -0.399128D+01
      3   0.233427D+01 -0.163816D+01 -0.147745D+01 -0.244121D+01 -0.568571D+01
               156           157           158           159           160 
      1   0.585671D+00  0.461037D+01  0.518285D+01  0.122303D+01  0.594077D+00
      2   0.185447D+01 -0.596398D+01 -0.188229D+01  0.829519D+00 -0.161592D+01
      3  -0.156751D+01 -0.134647D+01 -0.479641D+01 -0.231498D+01 -0.249541D-01
               161           162           163           164           165 
      1   0.220686D+01  0.779126D+00 -0.635834D+00  0.178238D+01 -0.801369D+00
      2  -0.378036D+00 -0.716104D+00  0.535077D+00 -0.225546D+00  0.733614D-01
      3  -0.114236D+01 -0.410475D+00  0.497878D+00 -0.179988D+01  0.927147D+00
               166           167           168           169           170 
      1   0.275953D+01 -0.105107D+02  0.472032D+01 -0.191425D+01  0.747417D+01
      2   0.154098D+01  0.336674D+01 -0.617185D+01 -0.262269D+01 -0.261367D+01
      3  -0.247959D-01  0.711846D+01 -0.545345D+01  0.456505D+00 -0.419310D+01
               171           172           173           174           175 
      1  -0.539544D+01 -0.919974D+00 -0.710565D-01  0.141507D+00 -0.204160D+00
      2   0.548267D+01 -0.113815D+01  0.513939D+00  0.110308D+01 -0.209775D-01
      3   0.439450D+01 -0.697665D+00 -0.100614D+01  0.403469D+00 -0.550204D+00
               176           177           178           179           180 
      1   0.229369D+00 -0.304154D+01  0.528640D+00  0.521831D+00 -0.801167D+01
      2  -0.243615D+01 -0.584276D+01 -0.885483D+00 -0.590867D+01 -0.196629D+02
      3   0.329426D+01  0.271046D+01  0.117619D+01  0.427170D+01  0.551447D+01
               181           182           183           184           185 
      1   0.115176D+01 -0.875152D+00  0.863325D+00 -0.173230D+01  0.352279D+01
      2   0.238422D+01 -0.175568D+01  0.213273D+01 -0.233984D+01  0.742115D+01
      3   0.974923D+00 -0.343775D+01  0.609228D+00 -0.359905D+01  0.163504D+02
               186           187           188           189           190 
      1  -0.593402D+01  0.115554D+01 -0.184008D+01  0.374390D+01 -0.329528D+00
      2  -0.730490D+01  0.163653D+01 -0.597697D+01  0.526053D+01  0.288680D+01
      3  -0.562487D+01  0.787755D+00 -0.830870D+01  0.510771D+01 -0.151862D+02
               191           192           193           194           195 
      1  -0.390531D+00  0.269654D+00 -0.520990D+00 -0.126695D+00 -0.101084D+01
      2   0.100931D+01  0.574936D+01  0.966802D+00  0.170770D+01  0.289567D+01
      3  -0.101956D+02 -0.495144D+00 -0.911154D+01 -0.788781D+01 -0.113675D+01
               196           197           198           199           200 
      1   0.874895D+00  0.407971D+00 -0.246901D+00  0.355678D+01  0.329843D+00
      2   0.190811D+01 -0.109558D+00  0.208862D-01  0.496191D+01 -0.100086D+01
      3  -0.439886D+00 -0.185541D+01 -0.903847D+00 -0.448044D+01 -0.341044D+01
               201           202           203           204           205 
      1   0.294925D+01 -0.155247D+00  0.497657D+00 -0.154953D+01  0.278512D+01
      2   0.650845D+01 -0.243842D+00  0.123783D+01 -0.823369D+00  0.359815D+01
      3  -0.233236D+01  0.581714D+00 -0.180592D+01 -0.609164D+00 -0.481160D+01
               206           207           208           209           210 
      1   0.737099D-01  0.464395D+01  0.105269D+01 -0.244675D+01  0.149241D+01
      2  -0.173128D+01  0.764423D+01 -0.773569D+00  0.255246D+00  0.115257D+01
      3  -0.374631D+01 -0.139496D+01 -0.335240D+01  0.869610D+00 -0.127347D+01
               211           212           213           214           215 
      1  -0.150589D+01  0.449444D+01 -0.721062D+01  0.200406D+00 -0.476788D+01
      2   0.109301D+01  0.173324D+00 -0.892802D+00 -0.197211D+01 -0.121750D+00
      3   0.457794D+01 -0.715028D+00  0.909490D+00 -0.420221D+01  0.129912D+01
               216           217           218           219           220 
      1   0.742589D+01 -0.331527D+01 -0.310558D+01 -0.436059D+01 -0.265134D+01
      2   0.706407D+00  0.626268D-01 -0.358703D+00  0.870561D+00 -0.104920D+01
      3   0.711706D-01  0.538252D+01  0.585383D+00  0.326405D+01  0.366215D+01
               221           222           223           224           225 
      1  -0.403238D+01 -0.688228D+01 -0.365040D+01 -0.580035D+01 -0.109387D+02
      2  -0.510126D+00  0.230974D+00 -0.208797D+01 -0.402004D+00 -0.751057D+00
      3   0.242955D+01  0.281320D+01  0.617204D+01  0.321970D+01  0.330636D+01
               226           227           228           229           230 
      1  -0.163597D+01  0.861091D-01 -0.206668D+01 -0.340755D+00 -0.803049D+00
      2   0.316903D+01  0.902240D+00  0.475314D+01  0.758464D+00  0.165925D+01
      3   0.218138D+01 -0.117285D+01  0.637281D+00 -0.353918D+00 -0.112111D+01
               231           232           233           234           235 
      1  -0.788519D+00 -0.267544D+01  0.204068D+01 -0.996833D+01  0.379899D+01
      2  -0.562751D+00  0.330756D+01  0.129309D+01  0.216318D+02 -0.492781D+01
      3  -0.126063D+01  0.127304D+01 -0.406814D+01  0.144942D+01  0.142566D+02
               236           237           238           239           240 
      1  -0.152551D+01 -0.236191D+01 -0.115994D+01  0.134351D+01  0.505221D+00
      2   0.971083D+00  0.800644D+01  0.113435D+01 -0.182883D+01 -0.303676D+01
      3  -0.720955D+01 -0.501248D+01 -0.567196D+01  0.298111D+01  0.318835D+01
               241           242           243           244           245 
      1  -0.282266D+01  0.208483D+01  0.150938D+01  0.494788D+00  0.165437D+00
      2   0.453060D+01 -0.827313D+00 -0.408970D+01 -0.140773D+01  0.229659D+00
      3  -0.579305D+01  0.483693D+01  0.385733D+01 -0.196371D+01  0.101388D+01
               246           247           248           249           250 
      1   0.191609D+00 -0.168371D+00 -0.296768D+00 -0.477976D+01 -0.700564D+00
      2   0.682570D+00  0.321814D+00 -0.414798D+01  0.419730D+01  0.339581D+00
      3  -0.850639D+00  0.555041D+00 -0.261322D+02  0.467930D+01 -0.898333D+00
               251           252 
      1  -0.342543D+00  0.564503D+00
      2   0.315659D+01 -0.764775D+00
      3   0.588329D+01 -0.262037D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.295084D+01  0.951097D+01 -0.113199D+02  0.713103D+01 -0.171955D+01
      2   0.179674D+01 -0.713243D+01  0.633336D+01 -0.535110D+01  0.486057D+01
      3   0.115411D+01 -0.237854D+01  0.498654D+01 -0.177993D+01 -0.314102D+01
      4   0.134956D+02 -0.474045D+01  0.192883D+00 -0.787351D+01 -0.105238D+02
      5  -0.318840D+01 -0.486028D+01 -0.139027D+02 -0.691689D+01  0.521001D+01
      6   0.320626D+00  0.690020D+01  0.804268D+01  0.722511D+01 -0.581103D+01
                 6             7             8             9            10 
      1  -0.332945D+00 -0.146271D+02 -0.171236D+01 -0.127544D+02 -0.288732D+01
      2  -0.104033D+01  0.975326D+01  0.244969D+01  0.666613D+01 -0.127001D+01
      3   0.137327D+01  0.487381D+01 -0.737329D+00  0.608831D+01  0.415733D+01
      4   0.797387D+01 -0.905545D+00  0.115242D+02  0.186511D+02 -0.205463D+02
      5   0.761940D+01 -0.211164D+02  0.128206D+02  0.352043D+01 -0.452678D+01
      6  -0.629174D+01  0.137362D+02 -0.739683D+01 -0.664128D+01 -0.759062D+00
                11            12            13            14            15 
      1  -0.122292D+02 -0.348549D+01 -0.161220D+02 -0.793729D+01 -0.215207D+01
      2   0.231202D+01  0.141946D+01  0.645750D+01  0.783339D+01  0.713653D+00
      3   0.991716D+01  0.206603D+01  0.966453D+01  0.103892D+00  0.143842D+01
      4  -0.120149D+02 -0.261671D+01 -0.117865D+02  0.123859D+02 -0.516088D+00
      5   0.188571D+01  0.445527D+01  0.117967D+01 -0.105518D+01 -0.313687D+01
      6  -0.216085D+01  0.526184D+00 -0.831186D+00 -0.904127D+00 -0.192302D+01
                16            17            18            19            20 
      1  -0.392681D+01 -0.420521D+01  0.194212D+02 -0.565493D+01 -0.480064D+01
      2   0.156316D+01 -0.255718D+01  0.208047D+01  0.560381D+01  0.189038D+00
      3   0.236365D+01  0.676240D+01 -0.215017D+02  0.511230D-01  0.461160D+01
      4  -0.518687D+01 -0.558875D+01 -0.152092D+01  0.460518D+00 -0.309777D+01
      5   0.122026D+02 -0.263397D+01  0.136386D+02 -0.261384D+01  0.816059D+00
      6   0.167908D+01  0.100026D+01  0.116159D+02 -0.292057D+01 -0.146074D+02
                21            22            23            24            25 
      1   0.109335D+02 -0.697915D+01  0.166967D+02 -0.510577D+01  0.154321D+02
      2  -0.161331D+02  0.370788D+01 -0.192648D+02  0.662961D+01 -0.185001D+02
      3   0.519963D+01  0.327127D+01  0.256805D+01 -0.152384D+01  0.306800D+01
      4  -0.186095D+01  0.233410D+01  0.401929D+01 -0.131155D+02 -0.365806D+01
      5  -0.186178D+01  0.112770D+01 -0.671501D+01  0.294243D+00  0.556005D+00
      6   0.104412D+01 -0.137816D+02  0.117100D+02 -0.158546D+02 -0.282972D+01
                26            27            28            29            30 
      1  -0.807474D+01  0.152368D+02 -0.445318D+01 -0.176373D+01 -0.210993D+01
      2   0.100077D+02 -0.204046D+02  0.323792D+01  0.108814D+02  0.888817D+01
      3  -0.193296D+01  0.516783D+01  0.121526D+01 -0.911767D+01 -0.677823D+01
      4  -0.146174D+02 -0.331288D+01 -0.127400D+02 -0.131474D+02  0.124568D+02
      5  -0.563952D+00 -0.368622D+01  0.981649D+01  0.109042D+02 -0.104124D+02
      6  -0.249873D+02  0.123083D+01  0.776220D+01  0.113427D+02 -0.124334D+02
                31            32            33            34            35 
      1   0.113312D+01 -0.619008D+01  0.746657D+01 -0.284885D+01  0.134000D+02
      2   0.512772D+01  0.112899D+02 -0.488902D+01  0.809472D+01 -0.629828D+01
      3  -0.626084D+01 -0.509986D+01 -0.257755D+01 -0.524587D+01 -0.710168D+01
      4  -0.131408D+02 -0.567411D+01  0.585213D+01  0.176969D+02  0.688776D+01
      5   0.809375D+01  0.204776D+01 -0.318966D+01 -0.892129D+01 -0.322492D+01
      6   0.765139D+01  0.166517D+01 -0.607417D+01 -0.918867D+01  0.174291D+00
                36            37            38            39            40 
      1  -0.588220D+01  0.410173D+01  0.154133D+02  0.136257D+02  0.179242D+02
      2   0.811792D+01 -0.996991D+01 -0.100377D+02 -0.610547D+01 -0.931543D+01
      3  -0.223572D+01  0.586818D+01 -0.537568D+01 -0.752024D+01 -0.860880D+01
      4  -0.927499D-01  0.148175D+02 -0.125284D+01 -0.993075D+01  0.121391D+01
      5  -0.991315D+00  0.145543D+02 -0.427706D+01  0.638873D+01 -0.300607D+01
      6  -0.939721D+00 -0.208196D+01  0.342236D+00  0.306333D+01  0.334994D+01
                41            42            43            44            45 
      1  -0.222619D+01 -0.186166D+01  0.152586D+02 -0.456528D+01  0.657408D+01
      2   0.423062D+00  0.598199D+01 -0.720597D+01  0.324094D+01 -0.178263D+00
      3   0.180313D+01 -0.412033D+01 -0.805268D+01  0.132434D+01 -0.639582D+01
      4  -0.431240D+01  0.949869D+01 -0.125390D+02  0.848914D+01 -0.110114D+02
      5   0.115044D+02 -0.705629D+01  0.342697D+01 -0.943335D+01 -0.616772D+01
      6  -0.550472D+00  0.612678D+01 -0.223210D+01 -0.545282D+00 -0.229207D+01
                46            47            48            49            50 
      1  -0.913068D+01 -0.141859D-02 -0.277860D+01  0.618175D+00  0.234171D+02
      2   0.592465D+01  0.448450D+01  0.410285D+01  0.108066D+01 -0.361902D+02
      3   0.320603D+01 -0.448308D+01 -0.132425D+01 -0.169883D+01  0.127730D+02
      4   0.356616D+01  0.305553D+01  0.307769D+01  0.389680D+01  0.140986D+01
      5  -0.522645D+01 -0.362563D+01 -0.356845D+01 -0.445864D+01 -0.700618D+01
      6   0.475615D+00  0.838526D+00 -0.434269D+01 -0.298970D+01 -0.317134D+01
                51            52            53            54            55 
      1  -0.701398D+01 -0.997977D+00 -0.191422D+01  0.571092D+00  0.504007D+01
      2  -0.832859D+00  0.380497D+01 -0.112965D+01  0.929118D+01  0.813645D+01
      3   0.784684D+01 -0.280699D+01  0.304387D+01 -0.986227D+01 -0.131765D+02
      4  -0.386681D+01  0.616146D+01  0.170852D+01  0.141480D+01  0.192049D+01
      5   0.110692D+01 -0.183758D+01  0.160249D+01 -0.149117D+01 -0.605246D+01
      6  -0.130253D+00  0.136364D+00  0.447198D+01 -0.177721D+01  0.102419D+01
                56            57            58            59            60 
      1  -0.709499D+01 -0.867702D+00 -0.664763D+01 -0.537324D+01  0.689696D+01
      2  -0.883311D+01  0.128181D+00 -0.792314D+01 -0.150855D+01  0.513694D+01
      3   0.159281D+02  0.739522D+00  0.145708D+02  0.688179D+01 -0.120339D+02
      4  -0.161350D+01 -0.188871D+01 -0.106099D+01  0.145659D+01  0.351576D+01
      5   0.148389D+01 -0.141678D+02  0.308618D+01  0.727408D+01  0.104336D+02
      6   0.453037D+01  0.160339D+02  0.766595D+01  0.148177D+01  0.263071D+01
                61            62            63            64            65 
      1  -0.322277D+01  0.904748D+00 -0.311473D+01  0.102303D+02 -0.437757D+01
      2  -0.144882D+01  0.808006D+01 -0.202408D+01 -0.537403D+01  0.629651D+00
      3   0.467159D+01 -0.898481D+01  0.513881D+01 -0.485625D+01  0.374792D+01
      4  -0.633292D+01 -0.354647D+00  0.429298D+01 -0.143500D+02  0.115373D+02
      5  -0.893733D+01  0.795442D+01  0.150980D+01 -0.117018D+02  0.644077D+01
      6   0.112751D+02 -0.932308D+00 -0.635777D+01  0.732726D+01 -0.618512D+01
                66            67            68            69            70 
      1  -0.378233D+01 -0.268688D+01 -0.350228D+01 -0.181843D+01 -0.625214D+01
      2   0.270335D+01 -0.105297D+01  0.801631D+01  0.275982D+01  0.503348D+01
      3   0.107898D+01  0.373985D+01 -0.451403D+01 -0.941396D+00  0.121866D+01
      4   0.828353D+01  0.133853D+02 -0.129639D+02 -0.105963D+02  0.137283D+02
      5   0.126334D+02  0.648944D+01 -0.876818D+01 -0.790860D+01  0.178099D+02
      6  -0.699462D+01 -0.721319D+01  0.105128D+02  0.104130D+02 -0.117773D+02
                71            72            73            74            75 
      1  -0.180982D+01  0.133474D+00 -0.190557D+02  0.190133D+02  0.194743D+02
      2   0.249930D+01 -0.617364D+01  0.215685D+02 -0.583042D+01 -0.119931D+02
      3  -0.689487D+00  0.604016D+01 -0.251281D+01 -0.131829D+02 -0.748119D+01
      4  -0.149585D+02 -0.153539D+02  0.243096D+02  0.162761D+02 -0.213297D-01
      5  -0.112950D+02 -0.199152D+02  0.226671D+02 -0.476646D+01 -0.157062D+02
      6   0.133314D+02  0.173348D+02  0.428531D+01 -0.592605D+00 -0.414384D+01
                76            77            78            79            80 
      1   0.316289D+02  0.224797D+02 -0.941824D+01  0.237066D+02 -0.595213D+01
      2  -0.180315D+02 -0.307271D+02  0.113007D+02 -0.114201D+02  0.105577D+02
      3  -0.135974D+02  0.824749D+01 -0.188243D+01 -0.122866D+02 -0.460562D+01
      4   0.113827D+02 -0.257907D+02  0.956121D+01  0.362714D+01  0.107183D+02
      5  -0.597725D+01  0.109981D+02  0.385409D+01 -0.224946D+02  0.144158D+00
      6   0.445970D+00  0.126562D+02 -0.775148D+00 -0.660977D+01 -0.168561D+01
                81            82            83            84            85 
      1  -0.171058D+02 -0.975443D+00  0.221594D+01 -0.231877D+01  0.200710D+01
      2   0.120410D+02 -0.321681D+01 -0.636548D+00  0.188384D+00 -0.808661D+00
      3   0.506477D+01  0.419226D+01 -0.157939D+01  0.213038D+01 -0.119843D+01
      4  -0.322892D+01  0.177634D+01  0.305302D+01 -0.862800D+00  0.427755D+01
      5  -0.268556D+02  0.250433D+00 -0.609574D+00  0.568982D+01 -0.639892D+00
      6  -0.132341D+02 -0.121832D+01  0.464749D+00 -0.558232D+00  0.382747D+00
                86            87            88            89            90 
      1  -0.346020D+01  0.298942D+01 -0.472017D+01  0.314629D+01 -0.199602D+02
      2   0.915682D+00 -0.739399D+00  0.922587D+00  0.133374D+01 -0.129157D+02
      3   0.254452D+01 -0.225003D+01  0.379758D+01 -0.448003D+01  0.328759D+02
      4   0.686888D+00 -0.239284D+01 -0.264545D+01 -0.409060D+01  0.200473D+01
      5  -0.210709D+01  0.257105D+01  0.445830D+01  0.337902D+01 -0.170545D+02
      6  -0.354528D+01  0.776287D+01  0.187226D+00  0.629194D+01 -0.116474D+02
                91            92            93            94            95 
      1   0.150908D+02  0.362674D+01 -0.218378D+01  0.831446D+00 -0.375452D+01
      2  -0.793787D+01  0.764078D+00  0.270296D+01  0.245681D+01  0.948206D+01
      3  -0.715296D+01 -0.439082D+01 -0.519178D+00 -0.328826D+01 -0.572754D+01
      4   0.228006D+02  0.181779D+02 -0.113444D+02  0.155019D+02  0.160891D+02
      5  -0.192719D+02 -0.115724D+02  0.152363D+02 -0.882200D+01 -0.937218D+01
      6  -0.120956D+02 -0.110001D+02  0.991494D+01 -0.954912D+01 -0.131552D+02
                96            97            98            99           100 
      1   0.186621D+01 -0.111640D+01  0.155564D+01 -0.243952D+01 -0.265314D+01
      2  -0.151736D+01  0.222963D+01 -0.109268D+00 -0.499858D+01  0.438745D+01
      3  -0.348846D+00 -0.111324D+01 -0.144637D+01  0.743810D+01 -0.173431D+01
      4  -0.868188D+01 -0.969712D+01 -0.828692D+01  0.915250D+01 -0.192357D+02
      5   0.674524D+01  0.133857D+02  0.855783D+01 -0.114042D+02 -0.152135D+02
      6   0.100698D+02  0.933543D+01  0.100914D+02 -0.111635D+02 -0.164579D+02
               101           102           103           104           105 
      1  -0.195849D+02 -0.137948D+02 -0.230479D+02  0.251320D+01 -0.808984D+01
      2   0.432493D+01  0.283002D+01  0.554636D+01  0.898641D+01 -0.680764D+01
      3   0.152600D+02  0.109648D+02  0.175015D+02 -0.114996D+02  0.148975D+02
      4  -0.820679D+01 -0.191481D+01 -0.109375D+02  0.263363D+01 -0.142541D+02
      5  -0.114565D+02 -0.743757D+01 -0.116587D+02 -0.156048D+02  0.103746D+02
      6  -0.635291D+01  0.296395D+01 -0.939196D+01  0.700359D+01 -0.195017D+02
               106           107           108           109           110 
      1  -0.108493D+02 -0.357681D+01 -0.310719D+01 -0.215278D+02 -0.304369D+02
      2   0.218976D+01 -0.704357D+01 -0.631856D+01  0.161769D+02  0.181922D+02
      3   0.865950D+01  0.106204D+02  0.942575D+01  0.535097D+01  0.122447D+02
      4   0.263292D+01 -0.956137D+01  0.109241D+02 -0.292309D+02 -0.153493D+01
      5  -0.617271D+01  0.114935D+02  0.800635D+01 -0.110139D+02  0.776092D+01
      6   0.715464D+01 -0.132907D+02  0.138175D+02  0.635997D+01 -0.291484D+01
               111           112           113           114           115 
      1  -0.105288D+02 -0.394100D+02 -0.304154D+01  0.220897D+01 -0.113352D+02
      2   0.232871D+01  0.249733D+02 -0.721486D+01  0.662066D+01  0.106049D+01
      3   0.820011D+01  0.144366D+02  0.102564D+02 -0.882963D+01  0.102747D+02
      4   0.848682D+01 -0.941771D+01  0.162283D+02 -0.155053D+02  0.103963D+02
      5   0.168034D+01  0.925772D+01 -0.141817D+02  0.147931D+02 -0.198327D+01
      6   0.139309D+00 -0.461456D+01  0.918736D+01 -0.835494D+01  0.365043D+01
               116           117           118           119           120 
      1   0.206579D+01  0.701304D+01 -0.410813D-01  0.173518D+01 -0.350376D+00
      2   0.862140D+01 -0.676005D+01  0.387679D+01 -0.256772D+01 -0.552815D+00
      3  -0.106872D+02 -0.252993D+00 -0.383571D+01  0.832548D+00  0.903191D+00
      4  -0.165254D+02  0.162117D+02 -0.194482D+00  0.984565D+01 -0.981636D+00
      5   0.172620D+02  0.207024D+02  0.483962D+00  0.392033D+00  0.281952D+01
      6  -0.808363D+01 -0.883566D+01  0.133979D+00 -0.315716D+00 -0.858542D-01
               121           122           123           124           125 
      1   0.467151D+00 -0.291571D+02 -0.355794D+00 -0.585492D+00  0.395697D+00
      2   0.121721D+01  0.533968D+02 -0.675059D+00 -0.865479D+00 -0.181500D+01
      3  -0.168436D+01 -0.242397D+02  0.103085D+01  0.145097D+01  0.141930D+01
      4   0.837631D+01  0.129925D+01  0.258100D+00 -0.177862D+01 -0.602155D+00
      5   0.194816D+00  0.119246D+01  0.218990D+00  0.215924D+01  0.647341D-01
      6   0.351701D+00  0.490432D+01  0.706215D+01  0.630500D+00  0.784828D+01
               126           127           128           129           130 
      1  -0.415232D+01 -0.121321D+01  0.206560D+01  0.639175D+01  0.246431D+01
      2   0.329920D+01 -0.682149D+01  0.315956D+01  0.801063D+01  0.167538D+01
      3   0.853119D+00  0.803471D+01 -0.522517D+01 -0.144024D+02 -0.413969D+01
      4   0.235944D+00 -0.420412D+01  0.352234D+01  0.367836D+01  0.396080D+01
      5   0.115648D+01 -0.846916D+01  0.406983D+01  0.121587D+02  0.407847D+01
      6   0.436439D+00  0.522063D+01 -0.611530D+01 -0.769164D+01 -0.558524D+01
               131           132           133           134           135 
      1  -0.601880D+01 -0.905943D+01  0.323052D+01 -0.646171D+01 -0.174186D+02
      2   0.143874D+00 -0.387603D+01  0.545832D+01 -0.405829D+01 -0.152696D+02
      3   0.587493D+01  0.129355D+02 -0.868884D+01  0.105200D+02  0.326883D+02
      4  -0.347494D+01 -0.330456D+01  0.340891D+01 -0.290131D+01 -0.422168D+01
      5  -0.480873D+01 -0.534573D+01  0.104713D+02 -0.508840D+01 -0.121989D+02
      6   0.106887D+02  0.126631D+02 -0.590145D+01  0.100698D+02  0.150224D+02
               136           137           138           139           140 
      1   0.183735D+01  0.172107D+01 -0.632197D+01  0.164362D+01 -0.165734D+01
      2  -0.108701D+02  0.141262D+01 -0.112887D+02  0.235723D+01  0.696640D+00
      3   0.903277D+01 -0.313369D+01  0.176107D+02 -0.400086D+01  0.960703D+00
      4   0.813851D+00  0.390707D+01 -0.226694D+00  0.347074D+01 -0.788141D+00
      5   0.188400D+02 -0.201838D+01  0.174495D+02 -0.376869D+01  0.236300D+01
      6  -0.246299D+01  0.420098D+01 -0.346074D+01  0.284346D+01 -0.376809D+01
               141           142           143           144           145 
      1   0.213842D+01 -0.206894D+01  0.771948D+00 -0.859502D+01 -0.699737D+01
      2   0.173025D+01 -0.770872D+01 -0.235820D+00 -0.118532D+02  0.158421D+01
      3  -0.386867D+01  0.977766D+01 -0.536128D+00  0.204482D+02  0.541316D+01
      4   0.113917D+01  0.319150D+00  0.161688D+01 -0.570907D+00  0.188382D+01
      5  -0.422080D+01  0.135745D+02 -0.215908D+01  0.137931D+02 -0.893418D+01
      6   0.555959D+01 -0.256357D+01  0.465149D+01 -0.180121D+01  0.617463D+01
               146           147           148           149           150 
      1   0.797981D+01  0.110960D+02  0.826039D+01 -0.788419D+01 -0.692360D+01
      2  -0.194775D+01  0.297176D+01 -0.271679D+01  0.199201D+01  0.111886D+00
      3  -0.603206D+01 -0.140678D+02 -0.554361D+01  0.589217D+01  0.681172D+01
      4   0.499286D+00 -0.898694D+00  0.243790D+01  0.801601D+00  0.288869D+01
      5   0.376100D+01  0.183768D+01  0.564523D+01  0.152351D-01 -0.118349D+01
      6  -0.582791D+01 -0.605700D+01 -0.356684D+01  0.701179D+01  0.889157D+01
               151           152           153           154           155 
      1   0.730550D+01 -0.620523D+01 -0.103839D+02  0.277727D+02  0.969942D+01
      2   0.657980D+00  0.181191D+01 -0.367943D+01 -0.159708D+02 -0.308382D+01
      3  -0.796348D+01  0.439332D+01  0.140633D+02 -0.118019D+02 -0.661560D+01
      4  -0.386484D+00  0.135432D+01 -0.584653D-01  0.188240D+02  0.147645D+02
      5   0.570515D+01 -0.266685D+01 -0.255793D+01  0.274198D+02  0.123371D+02
      6  -0.513927D+01  0.783493D+01  0.583097D+01  0.119921D+02  0.100612D+02
               156           157           158           159           160 
      1   0.574460D+01  0.121953D+02  0.398005D+01  0.155175D+01  0.373499D+00
      2  -0.873021D+01 -0.462810D+01  0.369697D+00 -0.309064D+01 -0.373902D+01
      3   0.298561D+01 -0.756720D+01 -0.434975D+01  0.153889D+01  0.336552D+01
      4   0.703388D+01  0.161575D+02  0.141998D+02  0.777601D+01  0.187030D+01
      5   0.179990D+02  0.149889D+02  0.111932D+02  0.910375D+01  0.980878D+01
      6   0.597470D+01  0.101080D+02  0.955440D+01  0.915795D+01  0.344769D+01
               161           162           163           164           165 
      1  -0.109252D+00  0.125194D+01  0.189368D+01 -0.334212D+00  0.300446D+01
      2  -0.102349D+01 -0.400417D+01 -0.329099D+01  0.182916D+01 -0.402829D+01
      3   0.113274D+01  0.275223D+01  0.139731D+01 -0.149494D+01  0.102384D+01
      4   0.282073D+01  0.312667D+01 -0.171293D+01  0.538722D+01 -0.270919D+01
      5   0.391084D+01  0.687756D+01  0.709608D+01 -0.329791D+01  0.870851D+01
      6   0.547195D+01  0.257083D+01 -0.220008D+01  0.293625D+01 -0.240699D+01
               166           167           168           169           170 
      1  -0.378030D+00 -0.800274D+01  0.106427D+02  0.130506D+01  0.618433D+01
      2   0.339652D+01 -0.754841D-01  0.820352D+01 -0.474299D+01  0.511331D+01
      3  -0.301849D+01  0.807823D+01 -0.188462D+02  0.343792D+01 -0.112976D+02
      4   0.780162D+01 -0.131980D+02  0.103959D+02 -0.319774D+01  0.688670D+01
      5  -0.879335D+01  0.109134D+02 -0.157625D+02  0.927764D+01 -0.819905D+01
      6   0.648804D+01 -0.212753D+02  0.198656D+02 -0.380790D+01  0.141585D+02
               171           172           173           174           175 
      1  -0.117308D+02  0.419207D+01  0.985097D+00 -0.219315D+01  0.119456D+01
      2  -0.114688D+02 -0.342322D+01 -0.497449D-01  0.247049D+01 -0.166022D+01
      3   0.231996D+02 -0.768848D+00 -0.935352D+00 -0.277336D+00  0.465666D+00
      4  -0.773009D+01  0.228499D+00  0.185844D+01  0.216440D+01  0.577903D+01
      5   0.149542D+02 -0.328216D+01  0.138337D+01  0.532466D+01  0.246094D+01
      6  -0.153575D+02  0.153622D+01 -0.372996D+00 -0.154122D+01 -0.147264D+01
               176           177           178           179           180 
      1  -0.176894D+01 -0.300605D+01 -0.864641D+01 -0.200842D+01 -0.626992D+01
      2   0.354464D+01  0.136414D+01  0.549160D+01  0.179039D+01 -0.503579D+01
      3  -0.177571D+01  0.164191D+01  0.315481D+01  0.218040D+00  0.113057D+02
      4  -0.806424D+01 -0.510901D+01  0.712134D+01 -0.902002D+01 -0.115605D+02
      5  -0.514792D+01 -0.993413D+01  0.120944D+02 -0.120808D+02 -0.335457D+02
      6   0.496181D+01  0.941669D+01 -0.439659D+01  0.101424D+02  0.169565D+02
               181           182           183           184           185 
      1   0.925964D+01 -0.375078D+01  0.369090D+01 -0.591126D+01 -0.294467D+01
      2  -0.217139D+01 -0.813028D+00 -0.736448D+00 -0.503939D+01  0.229802D+02
      3  -0.708826D+01  0.456381D+01 -0.295445D+01  0.109507D+02 -0.200355D+02
      4  -0.700334D+01  0.111841D+02 -0.495811D+01  0.219008D+02 -0.369554D+02
      5   0.403927D+01 -0.385603D+01  0.380222D+01 -0.608547D+01  0.118607D+02
      6  -0.290186D+01  0.124431D+01 -0.774722D+00  0.381959D+01 -0.969369D+01
               186           187           188           189           190 
      1   0.153320D+01  0.847836D+01  0.101357D+01 -0.197014D+01  0.675988D+02
      2  -0.692940D+01 -0.106070D+01 -0.902108D+01  0.303598D+01 -0.368820D+02
      3   0.539620D+01 -0.741766D+01  0.800750D+01 -0.106584D+01 -0.307168D+02
      4   0.126503D+02 -0.122717D+02  0.183532D+02 -0.113913D+02  0.785106D+01
      5  -0.120627D+02  0.765700D+01 -0.115938D+02  0.966745D+01 -0.851609D+00
      6   0.923419D+01 -0.452770D+01  0.948473D+01 -0.778008D+01 -0.153835D+01
               191           192           193           194           195 
      1   0.163711D+02  0.196120D+01  0.352816D+02  0.117589D+02  0.542581D+00
      2  -0.106906D+02 -0.929052D+00 -0.195657D+02 -0.476468D+01 -0.873883D+00
      3  -0.568053D+01 -0.103214D+01 -0.157160D+02 -0.699417D+01  0.331301D+00
      4   0.118569D+02  0.736617D-01  0.132595D+02  0.103902D+02  0.213089D+01
      5  -0.540194D+00  0.880696D+01 -0.178128D+01  0.135277D+01  0.487160D+01
      6  -0.800246D+00 -0.975684D+00 -0.794248D+00 -0.160981D+01  0.154024D+01
               196           197           198           199           200 
      1   0.599095D+01  0.518552D+00  0.506114D+01  0.241982D+02 -0.370268D+01
      2  -0.274318D+01 -0.160662D+01 -0.344471D+01 -0.125876D+02  0.163342D+00
      3  -0.324776D+01  0.108806D+01 -0.161643D+01 -0.116106D+02  0.353933D+01
      4  -0.581437D+00  0.299568D+01  0.183415D+00 -0.145519D+02  0.976328D+01
      5   0.941794D+01  0.957849D+00  0.119003D+00  0.131022D+02 -0.228416D+01
      6  -0.380348D+00  0.205709D+01  0.912899D+00 -0.486210D+01  0.828725D+00
               201           202           203           204           205 
      1   0.102886D+02 -0.449249D+00  0.224011D+01  0.626899D+00  0.168358D+02
      2  -0.579757D+01 -0.114001D+01 -0.569916D+00 -0.954899D+00 -0.982587D+01
      3  -0.449107D+01  0.158926D+01 -0.167020D+01  0.328000D+00 -0.700995D+01
      4  -0.615986D+01  0.745377D+01 -0.271652D+01  0.314148D+01 -0.101143D+02
      5   0.114703D+02 -0.428032D+00  0.307017D+01 -0.215567D+01  0.138866D+02
      6  -0.450320D+01  0.165100D+01 -0.146152D+01  0.376790D+01 -0.642581D+01
               206           207           208           209           210 
      1  -0.225005D+00  0.727364D+01 -0.119485D+01  0.491167D+01 -0.292900D+01
      2  -0.216494D+01 -0.675839D+01  0.475637D+01 -0.899516D+01  0.408400D+01
      3   0.238995D+01 -0.515252D+00 -0.356151D+01  0.408349D+01 -0.115500D+01
      4   0.722434D+01 -0.936268D+01 -0.669482D+01  0.120542D+02 -0.469583D+01
      5  -0.520200D+01  0.130232D+02  0.222481D+01 -0.367689D+01  0.428271D+01
      6   0.392495D+01 -0.590440D+01 -0.498573D+01  0.706951D+01 -0.379506D+01
               211           212           213           214           215 
      1   0.337339D+01 -0.297029D+02  0.124269D+02 -0.359809D+01  0.198409D+02
      2  -0.676443D+01  0.453252D+02 -0.160184D+02  0.538437D+01 -0.247704D+02
      3   0.339104D+01 -0.156223D+02  0.359143D+01 -0.178627D+01  0.492948D+01
      4   0.817960D+01 -0.116578D+02  0.577594D+01 -0.511438D+01  0.844972D+01
      5  -0.223702D+01  0.468041D+01 -0.256029D+01  0.373551D+01 -0.456953D+01
      6   0.536305D+01 -0.248513D+02  0.175874D+02 -0.398518D+01  0.252281D+02
               216           217           218           219           220 
      1  -0.154406D+02 -0.105733D+01 -0.512019D+01 -0.338055D+01 -0.288284D+01
      2   0.130301D+02  0.339206D+01  0.105220D+02  0.541712D+01  0.567917D+01
      3   0.241051D+01 -0.233473D+01 -0.540178D+01 -0.203657D+01 -0.279633D+01
      4  -0.458477D+01  0.774259D+01  0.832041D+01  0.515004D+01  0.592240D+01
      5   0.427723D+01  0.285821D+01  0.205480D+01  0.375950D+01  0.166457D+01
      6  -0.199414D+02  0.572600D+01  0.593757D+01  0.489631D+01  0.512387D+01
               221           222           223           224           225 
      1  -0.161400D+02 -0.646713D+01 -0.588284D+01 -0.120595D+02 -0.117230D+02
      2   0.253077D+02  0.893077D+01  0.596753D+01  0.167117D+02  0.114989D+02
      3  -0.916773D+01 -0.246364D+01 -0.846924D-01 -0.465216D+01  0.224089D+00
      4   0.652452D+01  0.425327D+01  0.658722D+01  0.546265D+01  0.479894D+01
      5   0.191922D+01  0.146592D+01  0.348775D+01  0.191121D+01  0.276927D+01
      6   0.112283D+02  0.128058D+02  0.614111D+01  0.173752D+02  0.167777D+02
               226           227           228           229           230 
      1   0.995589D+01 -0.735524D+00  0.496295D+01 -0.509903D+01 -0.223671D+01
      2  -0.766109D+01  0.455514D+00 -0.349070D+01  0.349298D+01  0.318680D+01
      3  -0.229479D+01  0.280010D+00 -0.147225D+01  0.160605D+01 -0.950086D+00
      4   0.161609D+01  0.144471D+01  0.285460D+01  0.192843D+01  0.330623D+01
      5   0.587728D+01  0.153608D+01  0.121702D+02  0.516413D+00  0.295612D+01
      6   0.239313D+01  0.713508D+00  0.366103D+01  0.105720D+01  0.400637D+00
               231           232           233           234           235 
      1  -0.264362D-01  0.139756D+02  0.141360D+01  0.552918D+01  0.667941D+02
      2   0.884816D+00 -0.835506D+01  0.142089D+01 -0.115611D+02 -0.388726D+02
      3  -0.858379D+00 -0.562055D+01 -0.283449D+01  0.603196D+01 -0.279215D+02
      4   0.346664D+01  0.905607D+01  0.946858D+01  0.568284D+01  0.658807D+01
      5  -0.260407D+00  0.181583D+02  0.398832D+01  0.379305D+02 -0.258144D+02
      6   0.369921D+01  0.603974D+01  0.520989D+01  0.168656D+02 -0.425802D+01
               236           237           238           239           240 
      1  -0.673850D+01 -0.188228D+02 -0.222291D+02  0.473233D+01  0.585606D+01
      2   0.584364D+01  0.129940D+02  0.137924D+02 -0.133863D+01 -0.532702D+01
      3   0.894863D+00  0.582875D+01  0.843670D+01 -0.339370D+01 -0.529045D+00
      4   0.913660D+01 -0.136057D+01  0.581919D+01 -0.305145D+01 -0.389080D+01
      5   0.241431D+01  0.181799D+02  0.800687D+01 -0.492176D+01 -0.660450D+01
      6  -0.752484D+00  0.407820D+01 -0.421738D+00 -0.195775D+00  0.608182D+00
               241           242           243           244           245 
      1  -0.266848D+02  0.250790D+01  0.129068D+02  0.166106D+01  0.541272D+01
      2   0.178541D+02 -0.398707D+01 -0.121364D+02  0.961478D+00 -0.454101D+01
      3   0.883071D+01  0.147917D+01 -0.770353D+00 -0.262254D+01 -0.871712D+00
      4  -0.374495D+01 -0.707293D+01  0.103382D+01  0.176276D+01  0.387513D+01
      5   0.221221D+02 -0.175049D+01 -0.133170D+02 -0.242043D+01 -0.447700D+00
      6   0.402820D+01  0.230522D+01 -0.141422D+01 -0.198933D+01  0.587568D+00
               246           247           248           249           250 
      1  -0.314054D+01  0.569329D+01 -0.210405D+02  0.491750D+01 -0.496223D+01
      2   0.177928D+01  0.302697D+01  0.447846D+02 -0.686240D+01  0.171726D+01
      3   0.136126D+01 -0.872027D+01 -0.237441D+02  0.194489D+01  0.324497D+01
      4  -0.107081D+01  0.171522D+02  0.477335D+02 -0.839557D+01 -0.445132D+01
      5   0.194092D+01 -0.221740D+01 -0.886229D+01  0.792918D+01  0.544254D+01
      6  -0.573716D+00 -0.266586D+01 -0.130230D+02  0.978039D+01  0.231678D+01
               251           252 
      1   0.519359D+01 -0.208229D+01
      2  -0.778535D+01  0.276585D+01
      3   0.259176D+01 -0.683564D+00
      4  -0.103807D+02  0.628768D+01
      5   0.640727D+01 -0.211083D+01
      6   0.970891D+01 -0.433398D+01
 Leave Link  716 at Fri Jul  9 23:42:58 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.127375D+03 -0.695794D-02  0.649135D+00
      2  -0.695794D-02  0.113911D+03 -0.491882D-01
      3   0.649135D+00 -0.491882D-01  0.109738D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.245410D+01  0.945348D+00  0.288857D+01
      2   0.299586D+01 -0.705833D+00  0.656476D+01
      3   0.416628D+01  0.278335D+01 -0.175023D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.472561D+01 -0.210685D+02  0.113007D+02
      2  -0.652993D+01  0.102155D+02 -0.384617D+01
      3   0.112555D+02  0.108530D+02 -0.745454D+01
      4  -0.290827D+02 -0.100065D+02  0.270796D+01
      5   0.180267D+02  0.169879D+01  0.169487D+02
      6   0.595938D+00  0.394101D+01 -0.434790D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.859199D+00 -0.284446D+01  0.120112D+01 -0.321789D+01  0.481277D-01
      2  -0.284446D+01 -0.669551D+00  0.121575D+01  0.481277D-01  0.320883D+01
      3   0.120112D+01  0.121575D+01  0.277783D+01  0.172450D+01 -0.129530D+01
                 6             7             8             9            10 
      1   0.172450D+01  0.927211D+00  0.204048D+01  0.426003D+01 -0.875733D-01
      2  -0.129530D+01  0.204048D+01 -0.206998D+01 -0.214253D+01  0.374611D+01
      3  -0.152646D+01  0.426003D+01 -0.214253D+01 -0.287744D+00  0.160393D+01
                11            12            13            14            15 
      1   0.374611D+01  0.160393D+01  0.461972D+01  0.810659D+00  0.148070D+00
      2   0.149357D+01 -0.194142D+00  0.810659D+00 -0.528659D+01  0.588932D+00
      3  -0.194142D+00 -0.207764D+01  0.148070D+00  0.588932D+00  0.113233D+01
                16            17            18            19            20 
      1   0.283306D+01  0.442517D-01 -0.237944D+01  0.924266D+00  0.178042D+01
      2   0.442517D-01  0.179572D+01  0.128145D+01  0.178042D+01  0.592314D+00
      3  -0.237944D+01  0.128145D+01 -0.604367D+01 -0.743459D+00 -0.332639D+01
                21            22            23            24            25 
      1  -0.743459D+00  0.238801D+01  0.502944D+00 -0.321397D+01 -0.578268D+00
      2  -0.332639D+01  0.502944D+00 -0.372125D+01  0.147948D+01 -0.390049D+01
      3  -0.704870D+00 -0.321397D+01  0.147948D+01 -0.237567D+01 -0.844462D+00
                26            27            28            29            30 
      1  -0.390049D+01 -0.844462D+00 -0.266512D+01 -0.244166D+01  0.800877D+00
      2   0.208250D+01 -0.396304D+01 -0.244166D+01 -0.191324D+01  0.467938D+01
      3  -0.396304D+01 -0.406260D+00  0.800877D+00  0.467938D+01 -0.132099D+01
                31            32            33            34            35 
      1  -0.264529D+01 -0.171540D+01  0.482683D+01  0.767001D+00  0.548666D+01
      2  -0.171540D+01  0.155688D+01  0.619737D+00  0.548666D+01 -0.817845D+00
      3   0.482683D+01  0.619737D+00  0.291103D+01 -0.162831D+01  0.223747D+01
                36            37            38            39            40 
      1  -0.162831D+01  0.483610D+01  0.501543D+01  0.330450D+01  0.591809D+01
      2   0.223747D+01  0.501543D+01  0.163660D+01 -0.170893D+01  0.253228D+01
      3  -0.900099D+00  0.330450D+01 -0.170893D+01  0.634904D+00 -0.235653D+01
                41            42            43            44            45 
      1   0.253228D+01 -0.235653D+01  0.458874D+01 -0.210815D+01  0.146930D+00
      2  -0.316661D+01  0.304826D+01 -0.210815D+01  0.451910D+01 -0.284429D+01
      3   0.304826D+01 -0.262213D+01  0.146930D+00 -0.284429D+01 -0.235785D+01
                46            47            48            49            50 
      1  -0.384938D+01 -0.331593D+01 -0.291104D+01 -0.400022D+01 -0.222227D+00
      2  -0.331593D+01 -0.389472D+00 -0.200944D+00 -0.222227D+00  0.883576D+01
      3  -0.291104D+01 -0.200944D+00 -0.135519D+01 -0.175674D+00 -0.896818D+00
                51            52            53            54            55 
      1  -0.175674D+00 -0.568435D+01 -0.487528D+00 -0.144963D+00  0.155663D+01
      2  -0.896818D+00 -0.487528D+00 -0.764010D+00 -0.202367D+01 -0.292452D+00
      3  -0.281346D+01 -0.144963D+00 -0.202367D+01  0.389511D+01  0.345157D+01
                56            57            58            59            60 
      1  -0.292452D+00  0.345157D+01 -0.538023D+00 -0.189940D+01 -0.333238D+01
      2  -0.184641D+01 -0.350530D+01 -0.189940D+01 -0.156044D+01 -0.176859D+01
      3  -0.350530D+01  0.693681D+00 -0.333238D+01 -0.176859D+01  0.248152D+01
                61            62            63            64            65 
      1   0.268741D+01 -0.261864D+01  0.582602D+00 -0.288975D+01  0.173104D+01
      2  -0.261864D+01 -0.159272D+01  0.206911D+01  0.173104D+01 -0.126321D+01
      3   0.582602D+00  0.206911D+01 -0.720288D+00  0.172144D+01 -0.105515D+01
                66            67            68            69            70 
      1   0.172144D+01  0.179999D+01 -0.163107D+01 -0.122366D+01  0.304536D+01
      2  -0.105515D+01 -0.163107D+01  0.231790D+01  0.188974D+01 -0.180819D+01
      3  -0.185643D+01 -0.122366D+01  0.188974D+01  0.169158D+01 -0.307249D+01
                71            72            73            74            75 
      1  -0.180819D+01 -0.307249D+01  0.151345D+01 -0.405179D+01 -0.285442D+01
      2   0.267299D+01  0.240037D+01 -0.405179D+01 -0.200900D+01  0.649429D+00
      3   0.240037D+01  0.416129D+01 -0.285442D+01  0.649429D+00  0.233537D+01
                76            77            78            79            80 
      1  -0.558433D+01 -0.522052D+00  0.506797D+00 -0.379246D+01  0.196428D+00
      2  -0.522052D+00  0.636157D+01 -0.209383D+01  0.196428D+00 -0.236856D+01
      3   0.506797D+00 -0.209383D+01 -0.608811D+00  0.311421D+01 -0.469326D-01
                81            82            83            84            85 
      1   0.311421D+01  0.674817D+00 -0.604464D+00  0.106939D+01 -0.902438D+00
      2  -0.469326D-01 -0.604464D+00 -0.160739D+00 -0.799907D-02 -0.243795D+00
      3   0.488691D+01  0.106939D+01 -0.799907D-02  0.683286D+00  0.135142D+00
                86            87            88            89            90 
      1  -0.243795D+00  0.135142D+00  0.198943D+01  0.279802D+00  0.433836D+00
      2  -0.367179D+00  0.111222D+01  0.279802D+00  0.117585D+01 -0.123136D+01
      3   0.111222D+01 -0.110408D+01  0.433836D+00 -0.123136D+01  0.771454D+01
                91            92            93            94            95 
      1   0.581959D+01  0.308011D+01 -0.250538D+01  0.249639D+01  0.223888D+01
      2   0.308011D+01  0.291812D+01 -0.193445D+01  0.223888D+01  0.350477D+01
      3  -0.250538D+01 -0.193445D+01  0.223695D+01 -0.164296D+01 -0.162131D+01
                96            97            98            99           100 
      1  -0.164296D+01 -0.199764D+01 -0.166879D+01  0.218152D+01 -0.173000D+01
      2  -0.162131D+01 -0.166879D+01 -0.146961D+01  0.158071D+01 -0.468078D+01
      3   0.126459D+01  0.218152D+01  0.158071D+01 -0.247031D+01 -0.319794D+01
               101           102           103           104           105 
      1  -0.468078D+01 -0.319794D+01 -0.509680D+01 -0.183828D+01  0.122075D+01
      2  -0.119212D+01  0.952191D+00 -0.183828D+01  0.130145D+01 -0.409884D+01
      3   0.952191D+00  0.561684D+00  0.122075D+01 -0.409884D+01  0.300603D+01
               106           107           108           109           110 
      1  -0.267833D+01  0.144624D+01  0.584722D+00 -0.220519D+01 -0.470143D+01
      2   0.144624D+01 -0.322776D+01  0.271147D+01 -0.470143D+01 -0.845578D+00
      3   0.584722D+00  0.271147D+01  0.183812D+01 -0.220025D+01  0.131687D+01
               111           112           113           114           115 
      1  -0.220025D+01 -0.572719D+01 -0.252425D+01  0.163897D+01 -0.245296D+01
      2   0.131687D+01 -0.252425D+01  0.325534D+01 -0.272035D+01  0.145677D+01
      3   0.454541D+00  0.163897D+01 -0.272035D+01  0.272900D+01 -0.467835D+00
               116           117           118           119           120 
      1   0.145677D+01 -0.467835D+00  0.120028D+00 -0.104412D+01  0.476776D+00
      2  -0.322655D+01  0.335499D+01 -0.104412D+01  0.562075D+00 -0.111621D+00
      3   0.335499D+01  0.425490D+01  0.476776D+00 -0.111621D+00  0.121584D+00
               121           122           123           124           125 
      1  -0.159019D+01 -0.308809D+00  0.128743D+00  0.810596D+00  0.975170D-01
      2  -0.308809D+00 -0.107453D+02  0.143482D+00  0.975170D-01  0.345539D+00
      3   0.128743D+00  0.143482D+00 -0.877207D+00 -0.964507D-01 -0.108742D+01
               126           127           128           129           130 
      1  -0.964507D-01  0.184065D+01 -0.963005D+00 -0.213425D+01 -0.107583D+01
      2  -0.108742D+01 -0.963005D+00  0.126404D+01  0.130226D+01  0.102410D+01
      3  -0.937840D-01 -0.213425D+01  0.130226D+01  0.273451D+01  0.119870D+01
               131           132           133           134           135 
      1   0.102410D+01  0.119870D+01 -0.189530D+01  0.963628D+00  0.195357D+01
      2  -0.169714D+01 -0.168943D+01  0.963628D+00 -0.153929D+01 -0.223153D+01
      3  -0.168943D+01 -0.279938D+01  0.195357D+01 -0.223153D+01 -0.584944D+01
               136           137           138           139           140 
      1  -0.483732D+01  0.382210D+00 -0.316788D+01  0.908777D+00 -0.666257D+00
      2   0.382210D+00 -0.810010D+00  0.665002D+00 -0.666257D+00  0.672723D+00
      3  -0.316788D+01  0.665002D+00 -0.379035D+01  0.101184D+01 -0.724181D+00
               141           142           143           144           145 
      1   0.101184D+01 -0.227668D+01  0.499890D+00 -0.230803D+01 -0.378490D+01
      2  -0.724181D+00  0.499890D+00 -0.487502D+00  0.132089D+00  0.170454D+01
      3   0.901911D+00 -0.230803D+01  0.132089D+00 -0.399163D+01  0.108321D+01
               146           147           148           149           150 
      1   0.170454D+01  0.108321D+01  0.202842D+01 -0.833004D+00 -0.769415D+00
      2  -0.123186D+01 -0.104014D+01 -0.833004D+00  0.140689D+01  0.165194D+01
      3  -0.104014D+01 -0.251316D+01 -0.769415D+00  0.165194D+01  0.128228D+01
               151           152           153           154           155 
      1   0.125863D+01 -0.842888D+00 -0.126559D+01  0.636283D+01  0.292387D+01
      2  -0.842888D+00  0.144558D+01  0.736184D+00  0.292387D+01  0.229259D+01
      3  -0.126559D+01  0.736184D+00  0.225794D+01  0.263127D+01  0.105572D+01
               156           157           158           159           160 
      1   0.263127D+01  0.357073D+01  0.243960D+01  0.128521D+01  0.809193D+00
      2   0.105572D+01  0.243960D+01  0.242760D+01  0.159724D+01  0.288050D+00
      3   0.232162D+01  0.128521D+01  0.159724D+01  0.125189D+01  0.111915D+01
               161           162           163           164           165 
      1   0.288050D+00  0.111915D+01  0.100971D+01 -0.352134D+00  0.128758D+01
      2   0.605641D+00  0.498470D+00 -0.352134D+00  0.599086D+00 -0.430393D+00
      3   0.498470D+00  0.859543D+00  0.128758D+01 -0.430393D+00  0.778119D+00
               166           167           168           169           170 
      1  -0.117273D+01  0.129157D+01 -0.138169D+01  0.116964D+01 -0.712276D+00
      2   0.129157D+01 -0.400861D+01  0.324792D+01 -0.712276D+00  0.211882D+01
      3  -0.138169D+01  0.324792D+01 -0.459585D+01  0.111931D+01 -0.251585D+01
               171           172           173           174           175 
      1   0.111931D+01  0.577349D+00  0.159069D+00 -0.530236D+00 -0.100156D+00
      2  -0.251585D+01  0.159069D+00  0.747888D-01  0.600197D-01  0.756433D+00
      3   0.446847D+01 -0.530236D+00  0.600197D-01  0.393526D+00  0.238771D+00
               176           177           178           179           180 
      1   0.756433D+00  0.238771D+00 -0.196031D+01  0.776812D+00  0.142927D+01
      2  -0.154838D+01 -0.105628D+01  0.776812D+00 -0.155135D+01 -0.221750D+01
      3  -0.105628D+01 -0.184585D+01  0.142927D+01 -0.221750D+01 -0.626076D+01
               181           182           183           184           185 
      1   0.154542D+01 -0.829779D+00  0.734851D+00 -0.215366D+01  0.300280D+01
      2  -0.829779D+00  0.855349D+00 -0.467449D+00  0.300280D+01 -0.643440D+01
      3   0.734851D+00 -0.467449D+00  0.270005D+00 -0.955252D+00  0.223540D+01
               186           187           188           189           190 
      1  -0.955252D+00  0.214114D+01 -0.162107D+01  0.107904D+01  0.895567D+01
      2   0.223540D+01 -0.162107D+01  0.322848D+01 -0.209446D+01  0.197207D+01
      3  -0.199090D+01  0.107904D+01 -0.209446D+01  0.166274D+01  0.295472D+00
               191           192           193           194           195 
      1   0.197207D+01  0.295472D+00  0.522928D+01  0.204189D+01 -0.113541D+00
      2   0.159100D+01  0.303772D-01  0.204189D+01  0.142635D+01  0.343147D+00
      3   0.303772D-01  0.855620D+00 -0.113541D+00  0.343147D+00  0.542883D+00
               196           197           198           199           200 
      1   0.964017D+00 -0.661788D-01  0.109517D+01 -0.445909D+01  0.101174D+01
      2  -0.661788D-01  0.505058D+00  0.118122D-01  0.101174D+01 -0.116878D+01
      3   0.109517D+01  0.118122D-01 -0.870170D-01 -0.211591D+01  0.390799D+00
               201           202           203           204           205 
      1  -0.211591D+01  0.594199D+00 -0.770539D+00  0.119316D+00 -0.354436D+01
      2   0.390799D+00 -0.770539D+00  0.819424D-01 -0.452969D+00  0.353441D+00
      3  -0.172742D+01  0.119316D+00 -0.452969D+00  0.352211D+00 -0.213357D+01
               206           207           208           209           210 
      1   0.353441D+00 -0.213357D+01 -0.123884D+01  0.130799D+01 -0.675229D+00
      2  -0.135403D+01  0.875268D+00  0.130799D+01 -0.176429D+01  0.104821D+01
      3   0.875268D+00 -0.249490D+01 -0.675229D+00  0.104821D+01 -0.435061D+00
               211           212           213           214           215 
      1   0.100007D+01 -0.134107D+01  0.749964D+00 -0.114558D+01  0.130376D+01
      2  -0.134107D+01  0.759924D+01 -0.304728D+01  0.130376D+01 -0.489492D+01
      3   0.749964D+00 -0.304728D+01  0.215826D+01 -0.517858D+00  0.344275D+01
               216           217           218           219           220 
      1  -0.517858D+00  0.164310D+01  0.961599D+00  0.112626D+01  0.825287D+00
      2   0.344275D+01  0.961599D+00  0.187643D+01  0.123630D+01  0.100954D+01
      3  -0.298021D+01  0.112626D+01  0.123630D+01  0.120579D+01  0.890942D+00
               221           222           223           224           225 
      1   0.100954D+01  0.890942D+00  0.154271D+01  0.119329D+01  0.116814D+01
      2   0.434446D+01  0.171890D+01  0.119329D+01  0.307441D+01  0.281518D+01
      3   0.171890D+01  0.191131D+01  0.116814D+01  0.281518D+01  0.323849D+01
               226           227           228           229           230 
      1  -0.136729D+01  0.186328D+00 -0.932279D+00  0.812891D+00 -0.244310D+00
      2   0.186328D+00 -0.541545D-01 -0.212861D+00 -0.244310D+00 -0.631556D+00
      3  -0.932279D+00 -0.212861D+00 -0.133184D+01 -0.814398D-01 -0.546472D+00
               231           232           233           234           235 
      1  -0.814398D-01 -0.284355D+01 -0.936128D+00 -0.225961D+01 -0.896083D+01
      2  -0.546472D+00 -0.936128D+00 -0.142302D+01 -0.643192D+00  0.612148D+00
      3   0.815724D-01 -0.225961D+01 -0.643192D+00 -0.622717D+01  0.277212D+01
               236           237           238           239           240 
      1   0.612148D+00  0.277212D+01  0.335023D+01 -0.963477D+00 -0.848527D+00
      2  -0.105289D+01 -0.312838D+00 -0.963477D+00  0.307657D+00  0.684535D+00
      3  -0.312838D+00 -0.188352D+01 -0.848527D+00  0.684535D+00  0.798841D+00
               241           242           243           244           245 
      1   0.424244D+01 -0.912001D-01 -0.250462D+01 -0.163512D+00 -0.452654D+00
      2  -0.912001D-01  0.110468D+01  0.212062D+00 -0.452654D+00  0.615359D+00
      3  -0.250462D+01  0.212062D+00  0.145865D+01  0.407905D+00 -0.936928D-01
               246           247           248           249           250 
      1   0.407905D+00 -0.173734D+01 -0.197489D+01  0.270488D+00  0.107322D+01
      2  -0.936928D-01 -0.197489D+01 -0.944194D+01  0.165073D+01  0.434524D+00
      3  -0.625475D-01  0.270488D+00  0.165073D+01 -0.133744D+01 -0.644290D+00
               251           252 
      1   0.434524D+00 -0.644290D+00
      2   0.211277D+01 -0.131759D+01
      3  -0.131759D+01  0.474440D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.479995D+01 -0.334144D+01 -0.332500D+01 -0.374444D+01  0.653183D+01
      2  -0.350437D+01 -0.211193D+01 -0.620300D+01 -0.262606D+01  0.302738D+01
      3  -0.825469D+01 -0.100761D+02  0.608736D+01 -0.348357D+01  0.694493D+01
                 6             7             8             9            10 
      1   0.824645D+00 -0.434759D+01  0.555947D+01 -0.501669D+00  0.453735D+01
      2   0.378926D+01 -0.143277D+02  0.474259D+01 -0.172879D+00 -0.388068D+01
      3  -0.101348D+00  0.753506D+01 -0.598188D+00  0.708477D+00  0.837048D+01
                11            12            13            14            15 
      1   0.238614D+01 -0.145776D+01  0.194163D+01 -0.384279D+01 -0.907069D+00
      2  -0.139348D+01  0.445019D+01 -0.172743D+01 -0.261616D+01 -0.177797D+01
      3  -0.422510D+01 -0.247310D+01  0.310242D+01 -0.112942D+02  0.148093D+01
                16            17            18            19            20 
      1  -0.522497D+00  0.627366D+01 -0.440182D+01  0.200391D+01  0.103390D+02
      2   0.585669D-01 -0.234687D+01  0.139368D+02 -0.207496D+01  0.135678D+01
      3  -0.268205D+01  0.320039D+01  0.206672D+01  0.341055D+01  0.469085D+01
                21            22            23            24            25 
      1   0.275580D+01  0.994936D+01 -0.316608D+01  0.514023D+01  0.430884D+01
      2   0.196326D+01  0.157239D+01  0.156832D-01 -0.547112D+00 -0.220048D+01
      3  -0.252214D+01  0.111582D+02  0.102706D+00 -0.817243D+01 -0.295372D+01
                26            27            28            29            30 
      1   0.133527D+02  0.359516D+01  0.101537D+01 -0.763428D+01 -0.508090D+01
      2  -0.143962D+01  0.143618D+01 -0.286734D+00  0.389074D+01  0.170442D+01
      3  -0.921845D+01 -0.272368D+01  0.211964D+01 -0.551831D+01 -0.205580D+01
                31            32            33            34            35 
      1  -0.724025D+01 -0.275987D+01 -0.764703D+01 -0.387011D+01 -0.818482D+00
      2   0.355742D+01  0.286810D+00  0.839130D+01 -0.492516D+01  0.101423D+02
      3   0.831956D+00 -0.381617D+01  0.617067D+01 -0.443844D+01  0.776006D+01
                36            37            38            39            40 
      1  -0.278589D+01  0.451678D+01  0.349721D+00 -0.995687D-01  0.193258D+01
      2  -0.184969D+01  0.503641D+01 -0.444281D+01  0.368282D+01 -0.613304D+01
      3  -0.363122D+01 -0.118319D+02 -0.104089D+02  0.165798D+01 -0.264203D+01
                41            42            43            44            45 
      1   0.730607D+00 -0.410325D+01 -0.935045D+00  0.459257D+01 -0.356989D+01
      2   0.664943D+01 -0.644654D+01 -0.670855D+01 -0.659310D+01 -0.633310D+01
      3   0.385837D+01 -0.519737D+01  0.117132D+01 -0.848498D+01  0.669562D+01
                46            47            48            49            50 
      1  -0.591114D+01 -0.653182D+00 -0.102847D+01  0.266427D+00 -0.152382D-02
      2  -0.178021D+01 -0.110595D+01  0.856312D+00 -0.138242D+00  0.296882D+00
      3   0.454065D+01  0.263702D+01  0.329383D+01  0.106530D+02  0.349422D+01
                51            52            53            54            55 
      1  -0.753192D+01 -0.278175D+01 -0.203111D+01  0.921952D+01  0.266186D+01
      2   0.219265D+01 -0.569705D+01 -0.166830D+00 -0.243653D+01  0.473260D+01
      3   0.518459D+00  0.651566D+01  0.196001D+00 -0.758993D+00 -0.444419D+00
                56            57            58            59            60 
      1   0.589055D+01  0.984547D+01  0.256946D+01  0.303430D+01  0.526614D+01
      2  -0.240422D+01  0.128693D+02 -0.226189D+01 -0.704576D+01 -0.103963D+02
      3  -0.156090D+01 -0.224162D+01  0.280890D+01  0.122631D+01  0.156984D+01
                61            62            63            64            65 
      1   0.867705D+01  0.849545D+01 -0.753613D+01 -0.170310D+01  0.284039D+00
      2   0.504015D+01 -0.753145D+01  0.543617D+00 -0.182146D+01  0.158142D+01
      3  -0.125285D+01  0.148943D+01  0.164011D+00 -0.117989D+01 -0.183890D+01
                66            67            68            69            70 
      1   0.293997D+01  0.143876D+01 -0.106049D+01 -0.309441D+01  0.374545D+01
      2   0.477996D+01  0.118616D+01 -0.342553D+01 -0.381266D+01  0.280341D+01
      3   0.195624D+00  0.179938D+01  0.258344D+01  0.139654D+01  0.186114D+01
                71            72            73            74            75 
      1   0.270280D+00 -0.599086D+01 -0.588909D+01 -0.558501D+00  0.360138D+01
      2  -0.403901D+01 -0.825541D+01  0.103027D+02 -0.131893D-01 -0.520541D+01
      3   0.438014D+01  0.150496D+00 -0.166026D+02 -0.165605D+01  0.619338D+01
                76            77            78            79            80 
      1  -0.119383D+00 -0.290981D+01 -0.230244D+01  0.532360D+01  0.157536D+01
      2  -0.102503D+00  0.698860D+01  0.131807D+01 -0.124146D+02 -0.122270D+01
      3   0.960671D+01  0.227461D+02 -0.808234D+01  0.609544D+01 -0.754330D+01
                81            82            83            84            85 
      1   0.741896D+01  0.273548D+00 -0.281246D+00  0.709904D+00 -0.233440D+00
      2  -0.169181D+02 -0.365580D+01  0.200128D+00 -0.184284D+01  0.565620D+00
      3  -0.445337D+01 -0.198137D+01 -0.269749D+00 -0.360628D+00  0.230703D+01
                86            87            88            89            90 
      1   0.360997D+00 -0.681094D+00  0.881941D+00  0.304526D+01  0.444911D+01
      2  -0.151631D+01  0.133664D+01 -0.678191D+01  0.140345D+01 -0.139740D+02
      3   0.463817D+00  0.193880D+01 -0.134999D+01  0.201417D+01 -0.142741D+01
                91            92            93            94            95 
      1  -0.392393D+00 -0.176722D+01 -0.200828D+01 -0.452672D+00 -0.265997D+01
      2   0.425693D+01  0.916329D+00  0.254299D+01  0.182365D+01  0.703244D+00
      3   0.548516D+01 -0.250498D+01 -0.851340D+00  0.322341D+01 -0.176279D+01
                96            97            98            99           100 
      1  -0.175558D+01 -0.937496D+00  0.178259D+01  0.248768D+01 -0.975020D+01
      2   0.915183D+00 -0.174314D+01 -0.416369D+00 -0.148029D+01 -0.219288D+01
      3  -0.406802D+00 -0.193341D+01  0.251492D+00  0.116345D+01  0.857370D+01
               101           102           103           104           105 
      1  -0.215077D+01  0.182349D+01 -0.510041D+01  0.268576D+01 -0.131549D+02
      2   0.117953D+02  0.117480D+02  0.136203D+02 -0.433900D+01  0.334052D+01
      3  -0.438876D+00 -0.268887D+01  0.461090D+01 -0.252284D+01  0.810794D+01
               106           107           108           109           110 
      1   0.367392D+01 -0.599487D+01  0.614751D+01 -0.923964D+00  0.168949D+01
      2   0.574286D+01  0.187060D+01  0.159854D+01 -0.692784D+01  0.264600D+01
      3  -0.349248D+01  0.637609D+01 -0.488634D+01  0.182646D+02  0.799495D+01
               111           112           113           114           115 
      1  -0.258319D+00  0.256036D+01 -0.430661D+01  0.290046D+01 -0.226136D+01
      2   0.174756D+01  0.237401D+01 -0.877276D+01  0.102919D+02 -0.613976D+01
      3  -0.179786D+01  0.169069D+02 -0.875140D+01  0.642074D+01 -0.165412D+01
               116           117           118           119           120 
      1   0.756352D+01  0.545422D+01  0.115568D+01 -0.135483D+00 -0.355900D-01
      2   0.121952D+02  0.154111D+02 -0.413011D+00 -0.159631D+00  0.104180D+01
      3   0.704722D+01 -0.103188D+02 -0.175761D+00 -0.367279D+00 -0.549490D+00
               121           122           123           124           125 
      1   0.352386D+00  0.254447D+01 -0.571166D+01  0.184036D+00 -0.288915D+00
      2  -0.571960D-01 -0.634690D+00  0.333989D+00 -0.142432D+01  0.161738D+00
      3   0.727113D+01 -0.135953D+01 -0.145272D+00 -0.138043D+01 -0.222712D+00
               126           127           128           129           130 
      1  -0.949926D-02  0.167462D+01 -0.412087D+01 -0.203606D+01 -0.246211D+01
      2   0.166170D-01  0.601264D+01 -0.245119D+01 -0.342254D+01 -0.364102D+01
      3  -0.225532D-01 -0.121925D+01 -0.673642D+00  0.916478D+00  0.231220D+01
               131           132           133           134           135 
      1   0.402710D+01  0.848979D+00 -0.208434D+01  0.446775D+01  0.251303D+01
      2   0.242922D+01  0.249529D+01 -0.713897D+01  0.250079D+01  0.231502D+01
      3  -0.108341D+00 -0.238673D+00  0.161289D+01  0.588103D+00 -0.497547D+00
               136           137           138           139           140 
      1  -0.179962D+01  0.431314D+01 -0.257069D+01  0.187654D+01 -0.241192D+01
      2  -0.148505D+02  0.102633D+01 -0.437144D+01  0.294163D+01 -0.151089D+01
      3   0.119044D+01 -0.278815D+01  0.120859D+01  0.539639D+00  0.628327D+00
               141           142           143           144           145 
      1   0.469560D-01 -0.169580D+01  0.281488D+01 -0.935957D+00  0.410622D+01
      2   0.204225D+01 -0.702388D+01  0.971773D+00 -0.390585D+01  0.142710D+02
      3  -0.311613D+00  0.316204D+00 -0.179403D+01  0.877285D+00 -0.543423D+01
               146           147           148           149           150 
      1  -0.416139D+01 -0.678281D+00 -0.278690D+01  0.372671D+01  0.173469D+01
      2  -0.590372D+01 -0.435236D+01 -0.715140D+01  0.470323D+01  0.301526D+01
      3   0.148371D+01  0.170185D+01  0.397719D+01 -0.214847D+01 -0.252883D+01
               151           152           153           154           155 
      1  -0.173713D+01  0.425015D+01  0.317006D+00  0.600568D+01  0.560318D+01
      2  -0.695816D+01  0.338728D+01  0.498577D+01 -0.865514D+01 -0.399128D+01
      3   0.233427D+01 -0.163816D+01 -0.147745D+01 -0.244121D+01 -0.568571D+01
               156           157           158           159           160 
      1   0.585671D+00  0.461037D+01  0.518285D+01  0.122303D+01  0.594077D+00
      2   0.185447D+01 -0.596398D+01 -0.188229D+01  0.829519D+00 -0.161592D+01
      3  -0.156751D+01 -0.134647D+01 -0.479641D+01 -0.231498D+01 -0.249541D-01
               161           162           163           164           165 
      1   0.220686D+01  0.779126D+00 -0.635834D+00  0.178238D+01 -0.801369D+00
      2  -0.378036D+00 -0.716104D+00  0.535077D+00 -0.225546D+00  0.733614D-01
      3  -0.114236D+01 -0.410475D+00  0.497878D+00 -0.179988D+01  0.927147D+00
               166           167           168           169           170 
      1   0.275953D+01 -0.105107D+02  0.472032D+01 -0.191425D+01  0.747417D+01
      2   0.154098D+01  0.336674D+01 -0.617185D+01 -0.262269D+01 -0.261367D+01
      3  -0.247959D-01  0.711846D+01 -0.545345D+01  0.456505D+00 -0.419310D+01
               171           172           173           174           175 
      1  -0.539544D+01 -0.919974D+00 -0.710565D-01  0.141507D+00 -0.204160D+00
      2   0.548267D+01 -0.113815D+01  0.513939D+00  0.110308D+01 -0.209775D-01
      3   0.439450D+01 -0.697665D+00 -0.100614D+01  0.403469D+00 -0.550204D+00
               176           177           178           179           180 
      1   0.229369D+00 -0.304154D+01  0.528640D+00  0.521831D+00 -0.801167D+01
      2  -0.243615D+01 -0.584276D+01 -0.885483D+00 -0.590867D+01 -0.196629D+02
      3   0.329426D+01  0.271046D+01  0.117619D+01  0.427170D+01  0.551447D+01
               181           182           183           184           185 
      1   0.115176D+01 -0.875152D+00  0.863325D+00 -0.173230D+01  0.352279D+01
      2   0.238422D+01 -0.175568D+01  0.213273D+01 -0.233984D+01  0.742115D+01
      3   0.974923D+00 -0.343775D+01  0.609228D+00 -0.359905D+01  0.163504D+02
               186           187           188           189           190 
      1  -0.593402D+01  0.115554D+01 -0.184008D+01  0.374390D+01 -0.329528D+00
      2  -0.730490D+01  0.163653D+01 -0.597697D+01  0.526053D+01  0.288680D+01
      3  -0.562487D+01  0.787755D+00 -0.830870D+01  0.510771D+01 -0.151862D+02
               191           192           193           194           195 
      1  -0.390531D+00  0.269654D+00 -0.520990D+00 -0.126695D+00 -0.101084D+01
      2   0.100931D+01  0.574936D+01  0.966802D+00  0.170770D+01  0.289567D+01
      3  -0.101956D+02 -0.495144D+00 -0.911154D+01 -0.788781D+01 -0.113675D+01
               196           197           198           199           200 
      1   0.874895D+00  0.407971D+00 -0.246901D+00  0.355678D+01  0.329843D+00
      2   0.190811D+01 -0.109558D+00  0.208862D-01  0.496191D+01 -0.100086D+01
      3  -0.439886D+00 -0.185541D+01 -0.903847D+00 -0.448044D+01 -0.341044D+01
               201           202           203           204           205 
      1   0.294925D+01 -0.155247D+00  0.497657D+00 -0.154953D+01  0.278512D+01
      2   0.650845D+01 -0.243842D+00  0.123783D+01 -0.823369D+00  0.359815D+01
      3  -0.233236D+01  0.581714D+00 -0.180592D+01 -0.609164D+00 -0.481160D+01
               206           207           208           209           210 
      1   0.737099D-01  0.464395D+01  0.105269D+01 -0.244675D+01  0.149241D+01
      2  -0.173128D+01  0.764423D+01 -0.773569D+00  0.255246D+00  0.115257D+01
      3  -0.374631D+01 -0.139496D+01 -0.335240D+01  0.869610D+00 -0.127347D+01
               211           212           213           214           215 
      1  -0.150589D+01  0.449444D+01 -0.721062D+01  0.200406D+00 -0.476788D+01
      2   0.109301D+01  0.173324D+00 -0.892802D+00 -0.197211D+01 -0.121750D+00
      3   0.457794D+01 -0.715028D+00  0.909490D+00 -0.420221D+01  0.129912D+01
               216           217           218           219           220 
      1   0.742589D+01 -0.331527D+01 -0.310558D+01 -0.436059D+01 -0.265134D+01
      2   0.706407D+00  0.626268D-01 -0.358703D+00  0.870561D+00 -0.104920D+01
      3   0.711706D-01  0.538252D+01  0.585383D+00  0.326405D+01  0.366215D+01
               221           222           223           224           225 
      1  -0.403238D+01 -0.688228D+01 -0.365040D+01 -0.580035D+01 -0.109387D+02
      2  -0.510126D+00  0.230974D+00 -0.208797D+01 -0.402004D+00 -0.751057D+00
      3   0.242955D+01  0.281320D+01  0.617204D+01  0.321970D+01  0.330636D+01
               226           227           228           229           230 
      1  -0.163597D+01  0.861091D-01 -0.206668D+01 -0.340755D+00 -0.803049D+00
      2   0.316903D+01  0.902240D+00  0.475314D+01  0.758464D+00  0.165925D+01
      3   0.218138D+01 -0.117285D+01  0.637281D+00 -0.353918D+00 -0.112111D+01
               231           232           233           234           235 
      1  -0.788519D+00 -0.267544D+01  0.204068D+01 -0.996833D+01  0.379899D+01
      2  -0.562751D+00  0.330756D+01  0.129309D+01  0.216318D+02 -0.492781D+01
      3  -0.126063D+01  0.127304D+01 -0.406814D+01  0.144942D+01  0.142566D+02
               236           237           238           239           240 
      1  -0.152551D+01 -0.236191D+01 -0.115994D+01  0.134351D+01  0.505221D+00
      2   0.971083D+00  0.800644D+01  0.113435D+01 -0.182883D+01 -0.303676D+01
      3  -0.720955D+01 -0.501248D+01 -0.567196D+01  0.298111D+01  0.318835D+01
               241           242           243           244           245 
      1  -0.282266D+01  0.208483D+01  0.150938D+01  0.494788D+00  0.165437D+00
      2   0.453060D+01 -0.827313D+00 -0.408970D+01 -0.140773D+01  0.229659D+00
      3  -0.579305D+01  0.483693D+01  0.385733D+01 -0.196371D+01  0.101388D+01
               246           247           248           249           250 
      1   0.191609D+00 -0.168371D+00 -0.296768D+00 -0.477976D+01 -0.700564D+00
      2   0.682570D+00  0.321814D+00 -0.414798D+01  0.419730D+01  0.339581D+00
      3  -0.850639D+00  0.555041D+00 -0.261322D+02  0.467930D+01 -0.898333D+00
               251           252 
      1  -0.342543D+00  0.564503D+00
      2   0.315659D+01 -0.764775D+00
      3   0.588329D+01 -0.262037D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.295084D+01  0.951097D+01 -0.113199D+02  0.713103D+01 -0.171955D+01
      2   0.179674D+01 -0.713243D+01  0.633336D+01 -0.535110D+01  0.486057D+01
      3   0.115411D+01 -0.237854D+01  0.498654D+01 -0.177993D+01 -0.314102D+01
      4   0.134956D+02 -0.474045D+01  0.192883D+00 -0.787351D+01 -0.105238D+02
      5  -0.318840D+01 -0.486028D+01 -0.139027D+02 -0.691689D+01  0.521001D+01
      6   0.320626D+00  0.690020D+01  0.804268D+01  0.722511D+01 -0.581103D+01
                 6             7             8             9            10 
      1  -0.332945D+00 -0.146271D+02 -0.171236D+01 -0.127544D+02 -0.288732D+01
      2  -0.104033D+01  0.975326D+01  0.244969D+01  0.666613D+01 -0.127001D+01
      3   0.137327D+01  0.487381D+01 -0.737329D+00  0.608831D+01  0.415733D+01
      4   0.797387D+01 -0.905545D+00  0.115242D+02  0.186511D+02 -0.205463D+02
      5   0.761940D+01 -0.211164D+02  0.128206D+02  0.352043D+01 -0.452678D+01
      6  -0.629174D+01  0.137362D+02 -0.739683D+01 -0.664128D+01 -0.759062D+00
                11            12            13            14            15 
      1  -0.122292D+02 -0.348549D+01 -0.161220D+02 -0.793729D+01 -0.215207D+01
      2   0.231202D+01  0.141946D+01  0.645750D+01  0.783339D+01  0.713653D+00
      3   0.991716D+01  0.206603D+01  0.966453D+01  0.103892D+00  0.143842D+01
      4  -0.120149D+02 -0.261671D+01 -0.117865D+02  0.123859D+02 -0.516088D+00
      5   0.188571D+01  0.445527D+01  0.117967D+01 -0.105518D+01 -0.313687D+01
      6  -0.216085D+01  0.526184D+00 -0.831186D+00 -0.904127D+00 -0.192302D+01
                16            17            18            19            20 
      1  -0.392681D+01 -0.420521D+01  0.194212D+02 -0.565493D+01 -0.480064D+01
      2   0.156316D+01 -0.255718D+01  0.208047D+01  0.560381D+01  0.189038D+00
      3   0.236365D+01  0.676240D+01 -0.215017D+02  0.511230D-01  0.461160D+01
      4  -0.518687D+01 -0.558875D+01 -0.152092D+01  0.460518D+00 -0.309777D+01
      5   0.122026D+02 -0.263397D+01  0.136386D+02 -0.261384D+01  0.816059D+00
      6   0.167908D+01  0.100026D+01  0.116159D+02 -0.292057D+01 -0.146074D+02
                21            22            23            24            25 
      1   0.109335D+02 -0.697915D+01  0.166967D+02 -0.510577D+01  0.154321D+02
      2  -0.161331D+02  0.370788D+01 -0.192648D+02  0.662961D+01 -0.185001D+02
      3   0.519963D+01  0.327127D+01  0.256805D+01 -0.152384D+01  0.306800D+01
      4  -0.186095D+01  0.233410D+01  0.401929D+01 -0.131155D+02 -0.365806D+01
      5  -0.186178D+01  0.112770D+01 -0.671501D+01  0.294243D+00  0.556005D+00
      6   0.104412D+01 -0.137816D+02  0.117100D+02 -0.158546D+02 -0.282972D+01
                26            27            28            29            30 
      1  -0.807474D+01  0.152368D+02 -0.445318D+01 -0.176373D+01 -0.210993D+01
      2   0.100077D+02 -0.204046D+02  0.323792D+01  0.108814D+02  0.888817D+01
      3  -0.193296D+01  0.516783D+01  0.121526D+01 -0.911767D+01 -0.677823D+01
      4  -0.146174D+02 -0.331288D+01 -0.127400D+02 -0.131474D+02  0.124568D+02
      5  -0.563952D+00 -0.368622D+01  0.981649D+01  0.109042D+02 -0.104124D+02
      6  -0.249873D+02  0.123083D+01  0.776220D+01  0.113427D+02 -0.124334D+02
                31            32            33            34            35 
      1   0.113312D+01 -0.619008D+01  0.746657D+01 -0.284885D+01  0.134000D+02
      2   0.512772D+01  0.112899D+02 -0.488902D+01  0.809472D+01 -0.629828D+01
      3  -0.626084D+01 -0.509986D+01 -0.257755D+01 -0.524587D+01 -0.710168D+01
      4  -0.131408D+02 -0.567411D+01  0.585213D+01  0.176969D+02  0.688776D+01
      5   0.809375D+01  0.204776D+01 -0.318966D+01 -0.892129D+01 -0.322492D+01
      6   0.765139D+01  0.166517D+01 -0.607417D+01 -0.918867D+01  0.174291D+00
                36            37            38            39            40 
      1  -0.588220D+01  0.410173D+01  0.154133D+02  0.136257D+02  0.179242D+02
      2   0.811792D+01 -0.996991D+01 -0.100377D+02 -0.610547D+01 -0.931543D+01
      3  -0.223572D+01  0.586818D+01 -0.537568D+01 -0.752024D+01 -0.860880D+01
      4  -0.927499D-01  0.148175D+02 -0.125284D+01 -0.993075D+01  0.121391D+01
      5  -0.991315D+00  0.145543D+02 -0.427706D+01  0.638873D+01 -0.300607D+01
      6  -0.939721D+00 -0.208196D+01  0.342236D+00  0.306333D+01  0.334994D+01
                41            42            43            44            45 
      1  -0.222619D+01 -0.186166D+01  0.152586D+02 -0.456528D+01  0.657408D+01
      2   0.423062D+00  0.598199D+01 -0.720597D+01  0.324094D+01 -0.178263D+00
      3   0.180313D+01 -0.412033D+01 -0.805268D+01  0.132434D+01 -0.639582D+01
      4  -0.431240D+01  0.949869D+01 -0.125390D+02  0.848914D+01 -0.110114D+02
      5   0.115044D+02 -0.705629D+01  0.342697D+01 -0.943335D+01 -0.616772D+01
      6  -0.550472D+00  0.612678D+01 -0.223210D+01 -0.545282D+00 -0.229207D+01
                46            47            48            49            50 
      1  -0.913068D+01 -0.141859D-02 -0.277860D+01  0.618175D+00  0.234171D+02
      2   0.592465D+01  0.448450D+01  0.410285D+01  0.108066D+01 -0.361902D+02
      3   0.320603D+01 -0.448308D+01 -0.132425D+01 -0.169883D+01  0.127730D+02
      4   0.356616D+01  0.305553D+01  0.307769D+01  0.389680D+01  0.140986D+01
      5  -0.522645D+01 -0.362563D+01 -0.356845D+01 -0.445864D+01 -0.700618D+01
      6   0.475615D+00  0.838526D+00 -0.434269D+01 -0.298970D+01 -0.317134D+01
                51            52            53            54            55 
      1  -0.701398D+01 -0.997977D+00 -0.191422D+01  0.571092D+00  0.504007D+01
      2  -0.832859D+00  0.380497D+01 -0.112965D+01  0.929118D+01  0.813645D+01
      3   0.784684D+01 -0.280699D+01  0.304387D+01 -0.986227D+01 -0.131765D+02
      4  -0.386681D+01  0.616146D+01  0.170852D+01  0.141480D+01  0.192049D+01
      5   0.110692D+01 -0.183758D+01  0.160249D+01 -0.149117D+01 -0.605246D+01
      6  -0.130253D+00  0.136364D+00  0.447198D+01 -0.177721D+01  0.102419D+01
                56            57            58            59            60 
      1  -0.709499D+01 -0.867702D+00 -0.664763D+01 -0.537324D+01  0.689696D+01
      2  -0.883311D+01  0.128181D+00 -0.792314D+01 -0.150855D+01  0.513694D+01
      3   0.159281D+02  0.739522D+00  0.145708D+02  0.688179D+01 -0.120339D+02
      4  -0.161350D+01 -0.188871D+01 -0.106099D+01  0.145659D+01  0.351576D+01
      5   0.148389D+01 -0.141678D+02  0.308618D+01  0.727408D+01  0.104336D+02
      6   0.453037D+01  0.160339D+02  0.766595D+01  0.148177D+01  0.263071D+01
                61            62            63            64            65 
      1  -0.322277D+01  0.904748D+00 -0.311473D+01  0.102303D+02 -0.437757D+01
      2  -0.144882D+01  0.808006D+01 -0.202408D+01 -0.537403D+01  0.629651D+00
      3   0.467159D+01 -0.898481D+01  0.513881D+01 -0.485625D+01  0.374792D+01
      4  -0.633292D+01 -0.354647D+00  0.429298D+01 -0.143500D+02  0.115373D+02
      5  -0.893733D+01  0.795442D+01  0.150980D+01 -0.117018D+02  0.644077D+01
      6   0.112751D+02 -0.932308D+00 -0.635777D+01  0.732726D+01 -0.618512D+01
                66            67            68            69            70 
      1  -0.378233D+01 -0.268688D+01 -0.350228D+01 -0.181843D+01 -0.625214D+01
      2   0.270335D+01 -0.105297D+01  0.801631D+01  0.275982D+01  0.503348D+01
      3   0.107898D+01  0.373985D+01 -0.451403D+01 -0.941396D+00  0.121866D+01
      4   0.828353D+01  0.133853D+02 -0.129639D+02 -0.105963D+02  0.137283D+02
      5   0.126334D+02  0.648944D+01 -0.876818D+01 -0.790860D+01  0.178099D+02
      6  -0.699462D+01 -0.721319D+01  0.105128D+02  0.104130D+02 -0.117773D+02
                71            72            73            74            75 
      1  -0.180982D+01  0.133474D+00 -0.190557D+02  0.190133D+02  0.194743D+02
      2   0.249930D+01 -0.617364D+01  0.215685D+02 -0.583042D+01 -0.119931D+02
      3  -0.689487D+00  0.604016D+01 -0.251281D+01 -0.131829D+02 -0.748119D+01
      4  -0.149585D+02 -0.153539D+02  0.243096D+02  0.162761D+02 -0.213297D-01
      5  -0.112950D+02 -0.199152D+02  0.226671D+02 -0.476646D+01 -0.157062D+02
      6   0.133314D+02  0.173348D+02  0.428531D+01 -0.592605D+00 -0.414384D+01
                76            77            78            79            80 
      1   0.316289D+02  0.224797D+02 -0.941824D+01  0.237066D+02 -0.595213D+01
      2  -0.180315D+02 -0.307271D+02  0.113007D+02 -0.114201D+02  0.105577D+02
      3  -0.135974D+02  0.824749D+01 -0.188243D+01 -0.122866D+02 -0.460562D+01
      4   0.113827D+02 -0.257907D+02  0.956121D+01  0.362714D+01  0.107183D+02
      5  -0.597725D+01  0.109981D+02  0.385409D+01 -0.224946D+02  0.144158D+00
      6   0.445970D+00  0.126562D+02 -0.775148D+00 -0.660977D+01 -0.168561D+01
                81            82            83            84            85 
      1  -0.171058D+02 -0.975443D+00  0.221594D+01 -0.231877D+01  0.200710D+01
      2   0.120410D+02 -0.321681D+01 -0.636548D+00  0.188384D+00 -0.808661D+00
      3   0.506477D+01  0.419226D+01 -0.157939D+01  0.213038D+01 -0.119843D+01
      4  -0.322892D+01  0.177634D+01  0.305302D+01 -0.862800D+00  0.427755D+01
      5  -0.268556D+02  0.250433D+00 -0.609574D+00  0.568982D+01 -0.639892D+00
      6  -0.132341D+02 -0.121832D+01  0.464749D+00 -0.558232D+00  0.382747D+00
                86            87            88            89            90 
      1  -0.346020D+01  0.298942D+01 -0.472017D+01  0.314629D+01 -0.199602D+02
      2   0.915682D+00 -0.739399D+00  0.922587D+00  0.133374D+01 -0.129157D+02
      3   0.254452D+01 -0.225003D+01  0.379758D+01 -0.448003D+01  0.328759D+02
      4   0.686888D+00 -0.239284D+01 -0.264545D+01 -0.409060D+01  0.200473D+01
      5  -0.210709D+01  0.257105D+01  0.445830D+01  0.337902D+01 -0.170545D+02
      6  -0.354528D+01  0.776287D+01  0.187226D+00  0.629194D+01 -0.116474D+02
                91            92            93            94            95 
      1   0.150908D+02  0.362674D+01 -0.218378D+01  0.831446D+00 -0.375452D+01
      2  -0.793787D+01  0.764078D+00  0.270296D+01  0.245681D+01  0.948206D+01
      3  -0.715296D+01 -0.439082D+01 -0.519178D+00 -0.328826D+01 -0.572754D+01
      4   0.228006D+02  0.181779D+02 -0.113444D+02  0.155019D+02  0.160891D+02
      5  -0.192719D+02 -0.115724D+02  0.152363D+02 -0.882200D+01 -0.937218D+01
      6  -0.120956D+02 -0.110001D+02  0.991494D+01 -0.954912D+01 -0.131552D+02
                96            97            98            99           100 
      1   0.186621D+01 -0.111640D+01  0.155564D+01 -0.243952D+01 -0.265314D+01
      2  -0.151736D+01  0.222963D+01 -0.109268D+00 -0.499858D+01  0.438745D+01
      3  -0.348846D+00 -0.111324D+01 -0.144637D+01  0.743810D+01 -0.173431D+01
      4  -0.868188D+01 -0.969712D+01 -0.828692D+01  0.915250D+01 -0.192357D+02
      5   0.674524D+01  0.133857D+02  0.855783D+01 -0.114042D+02 -0.152135D+02
      6   0.100698D+02  0.933543D+01  0.100914D+02 -0.111635D+02 -0.164579D+02
               101           102           103           104           105 
      1  -0.195849D+02 -0.137948D+02 -0.230479D+02  0.251320D+01 -0.808984D+01
      2   0.432493D+01  0.283002D+01  0.554636D+01  0.898641D+01 -0.680764D+01
      3   0.152600D+02  0.109648D+02  0.175015D+02 -0.114996D+02  0.148975D+02
      4  -0.820679D+01 -0.191481D+01 -0.109375D+02  0.263363D+01 -0.142541D+02
      5  -0.114565D+02 -0.743757D+01 -0.116587D+02 -0.156048D+02  0.103746D+02
      6  -0.635291D+01  0.296395D+01 -0.939196D+01  0.700359D+01 -0.195017D+02
               106           107           108           109           110 
      1  -0.108493D+02 -0.357681D+01 -0.310719D+01 -0.215278D+02 -0.304369D+02
      2   0.218976D+01 -0.704357D+01 -0.631856D+01  0.161769D+02  0.181922D+02
      3   0.865950D+01  0.106204D+02  0.942575D+01  0.535097D+01  0.122447D+02
      4   0.263292D+01 -0.956137D+01  0.109241D+02 -0.292309D+02 -0.153493D+01
      5  -0.617271D+01  0.114935D+02  0.800635D+01 -0.110139D+02  0.776092D+01
      6   0.715464D+01 -0.132907D+02  0.138175D+02  0.635997D+01 -0.291484D+01
               111           112           113           114           115 
      1  -0.105288D+02 -0.394100D+02 -0.304154D+01  0.220897D+01 -0.113352D+02
      2   0.232871D+01  0.249733D+02 -0.721486D+01  0.662066D+01  0.106049D+01
      3   0.820011D+01  0.144366D+02  0.102564D+02 -0.882963D+01  0.102747D+02
      4   0.848682D+01 -0.941771D+01  0.162283D+02 -0.155053D+02  0.103963D+02
      5   0.168034D+01  0.925772D+01 -0.141817D+02  0.147931D+02 -0.198327D+01
      6   0.139309D+00 -0.461456D+01  0.918736D+01 -0.835494D+01  0.365043D+01
               116           117           118           119           120 
      1   0.206579D+01  0.701304D+01 -0.410813D-01  0.173518D+01 -0.350376D+00
      2   0.862140D+01 -0.676005D+01  0.387679D+01 -0.256772D+01 -0.552815D+00
      3  -0.106872D+02 -0.252993D+00 -0.383571D+01  0.832548D+00  0.903191D+00
      4  -0.165254D+02  0.162117D+02 -0.194482D+00  0.984565D+01 -0.981636D+00
      5   0.172620D+02  0.207024D+02  0.483962D+00  0.392033D+00  0.281952D+01
      6  -0.808363D+01 -0.883566D+01  0.133979D+00 -0.315716D+00 -0.858542D-01
               121           122           123           124           125 
      1   0.467151D+00 -0.291571D+02 -0.355794D+00 -0.585492D+00  0.395697D+00
      2   0.121721D+01  0.533968D+02 -0.675059D+00 -0.865479D+00 -0.181500D+01
      3  -0.168436D+01 -0.242397D+02  0.103085D+01  0.145097D+01  0.141930D+01
      4   0.837631D+01  0.129925D+01  0.258100D+00 -0.177862D+01 -0.602155D+00
      5   0.194816D+00  0.119246D+01  0.218990D+00  0.215924D+01  0.647341D-01
      6   0.351701D+00  0.490432D+01  0.706215D+01  0.630500D+00  0.784828D+01
               126           127           128           129           130 
      1  -0.415232D+01 -0.121321D+01  0.206560D+01  0.639175D+01  0.246431D+01
      2   0.329920D+01 -0.682149D+01  0.315956D+01  0.801063D+01  0.167538D+01
      3   0.853119D+00  0.803471D+01 -0.522517D+01 -0.144024D+02 -0.413969D+01
      4   0.235944D+00 -0.420412D+01  0.352234D+01  0.367836D+01  0.396080D+01
      5   0.115648D+01 -0.846916D+01  0.406983D+01  0.121587D+02  0.407847D+01
      6   0.436439D+00  0.522063D+01 -0.611530D+01 -0.769164D+01 -0.558524D+01
               131           132           133           134           135 
      1  -0.601880D+01 -0.905943D+01  0.323052D+01 -0.646171D+01 -0.174186D+02
      2   0.143874D+00 -0.387603D+01  0.545832D+01 -0.405829D+01 -0.152696D+02
      3   0.587493D+01  0.129355D+02 -0.868884D+01  0.105200D+02  0.326883D+02
      4  -0.347494D+01 -0.330456D+01  0.340891D+01 -0.290131D+01 -0.422168D+01
      5  -0.480873D+01 -0.534573D+01  0.104713D+02 -0.508840D+01 -0.121989D+02
      6   0.106887D+02  0.126631D+02 -0.590145D+01  0.100698D+02  0.150224D+02
               136           137           138           139           140 
      1   0.183735D+01  0.172107D+01 -0.632197D+01  0.164362D+01 -0.165734D+01
      2  -0.108701D+02  0.141262D+01 -0.112887D+02  0.235723D+01  0.696640D+00
      3   0.903277D+01 -0.313369D+01  0.176107D+02 -0.400086D+01  0.960703D+00
      4   0.813851D+00  0.390707D+01 -0.226694D+00  0.347074D+01 -0.788141D+00
      5   0.188400D+02 -0.201838D+01  0.174495D+02 -0.376869D+01  0.236300D+01
      6  -0.246299D+01  0.420098D+01 -0.346074D+01  0.284346D+01 -0.376809D+01
               141           142           143           144           145 
      1   0.213842D+01 -0.206894D+01  0.771948D+00 -0.859502D+01 -0.699737D+01
      2   0.173025D+01 -0.770872D+01 -0.235820D+00 -0.118532D+02  0.158421D+01
      3  -0.386867D+01  0.977766D+01 -0.536128D+00  0.204482D+02  0.541316D+01
      4   0.113917D+01  0.319150D+00  0.161688D+01 -0.570907D+00  0.188382D+01
      5  -0.422080D+01  0.135745D+02 -0.215908D+01  0.137931D+02 -0.893418D+01
      6   0.555959D+01 -0.256357D+01  0.465149D+01 -0.180121D+01  0.617463D+01
               146           147           148           149           150 
      1   0.797981D+01  0.110960D+02  0.826039D+01 -0.788419D+01 -0.692360D+01
      2  -0.194775D+01  0.297176D+01 -0.271679D+01  0.199201D+01  0.111886D+00
      3  -0.603206D+01 -0.140678D+02 -0.554361D+01  0.589217D+01  0.681172D+01
      4   0.499286D+00 -0.898694D+00  0.243790D+01  0.801601D+00  0.288869D+01
      5   0.376100D+01  0.183768D+01  0.564523D+01  0.152351D-01 -0.118349D+01
      6  -0.582791D+01 -0.605700D+01 -0.356684D+01  0.701179D+01  0.889157D+01
               151           152           153           154           155 
      1   0.730550D+01 -0.620523D+01 -0.103839D+02  0.277727D+02  0.969942D+01
      2   0.657980D+00  0.181191D+01 -0.367943D+01 -0.159708D+02 -0.308382D+01
      3  -0.796348D+01  0.439332D+01  0.140633D+02 -0.118019D+02 -0.661560D+01
      4  -0.386484D+00  0.135432D+01 -0.584653D-01  0.188240D+02  0.147645D+02
      5   0.570515D+01 -0.266685D+01 -0.255793D+01  0.274198D+02  0.123371D+02
      6  -0.513927D+01  0.783493D+01  0.583097D+01  0.119921D+02  0.100612D+02
               156           157           158           159           160 
      1   0.574460D+01  0.121953D+02  0.398005D+01  0.155175D+01  0.373499D+00
      2  -0.873021D+01 -0.462810D+01  0.369697D+00 -0.309064D+01 -0.373902D+01
      3   0.298561D+01 -0.756720D+01 -0.434975D+01  0.153889D+01  0.336552D+01
      4   0.703388D+01  0.161575D+02  0.141998D+02  0.777601D+01  0.187030D+01
      5   0.179990D+02  0.149889D+02  0.111932D+02  0.910375D+01  0.980878D+01
      6   0.597470D+01  0.101080D+02  0.955440D+01  0.915795D+01  0.344769D+01
               161           162           163           164           165 
      1  -0.109252D+00  0.125194D+01  0.189368D+01 -0.334212D+00  0.300446D+01
      2  -0.102349D+01 -0.400417D+01 -0.329099D+01  0.182916D+01 -0.402829D+01
      3   0.113274D+01  0.275223D+01  0.139731D+01 -0.149494D+01  0.102384D+01
      4   0.282073D+01  0.312667D+01 -0.171293D+01  0.538722D+01 -0.270919D+01
      5   0.391084D+01  0.687756D+01  0.709608D+01 -0.329791D+01  0.870851D+01
      6   0.547195D+01  0.257083D+01 -0.220008D+01  0.293625D+01 -0.240699D+01
               166           167           168           169           170 
      1  -0.378030D+00 -0.800274D+01  0.106427D+02  0.130506D+01  0.618433D+01
      2   0.339652D+01 -0.754841D-01  0.820352D+01 -0.474299D+01  0.511331D+01
      3  -0.301849D+01  0.807823D+01 -0.188462D+02  0.343792D+01 -0.112976D+02
      4   0.780162D+01 -0.131980D+02  0.103959D+02 -0.319774D+01  0.688670D+01
      5  -0.879335D+01  0.109134D+02 -0.157625D+02  0.927764D+01 -0.819905D+01
      6   0.648804D+01 -0.212753D+02  0.198656D+02 -0.380790D+01  0.141585D+02
               171           172           173           174           175 
      1  -0.117308D+02  0.419207D+01  0.985097D+00 -0.219315D+01  0.119456D+01
      2  -0.114688D+02 -0.342322D+01 -0.497449D-01  0.247049D+01 -0.166022D+01
      3   0.231996D+02 -0.768848D+00 -0.935352D+00 -0.277336D+00  0.465666D+00
      4  -0.773009D+01  0.228499D+00  0.185844D+01  0.216440D+01  0.577903D+01
      5   0.149542D+02 -0.328216D+01  0.138337D+01  0.532466D+01  0.246094D+01
      6  -0.153575D+02  0.153622D+01 -0.372996D+00 -0.154122D+01 -0.147264D+01
               176           177           178           179           180 
      1  -0.176894D+01 -0.300605D+01 -0.864641D+01 -0.200842D+01 -0.626992D+01
      2   0.354464D+01  0.136414D+01  0.549160D+01  0.179039D+01 -0.503579D+01
      3  -0.177571D+01  0.164191D+01  0.315481D+01  0.218040D+00  0.113057D+02
      4  -0.806424D+01 -0.510901D+01  0.712134D+01 -0.902002D+01 -0.115605D+02
      5  -0.514792D+01 -0.993413D+01  0.120944D+02 -0.120808D+02 -0.335457D+02
      6   0.496181D+01  0.941669D+01 -0.439659D+01  0.101424D+02  0.169565D+02
               181           182           183           184           185 
      1   0.925964D+01 -0.375078D+01  0.369090D+01 -0.591126D+01 -0.294467D+01
      2  -0.217139D+01 -0.813028D+00 -0.736448D+00 -0.503939D+01  0.229802D+02
      3  -0.708826D+01  0.456381D+01 -0.295445D+01  0.109507D+02 -0.200355D+02
      4  -0.700334D+01  0.111841D+02 -0.495811D+01  0.219008D+02 -0.369554D+02
      5   0.403927D+01 -0.385603D+01  0.380222D+01 -0.608547D+01  0.118607D+02
      6  -0.290186D+01  0.124431D+01 -0.774722D+00  0.381959D+01 -0.969369D+01
               186           187           188           189           190 
      1   0.153320D+01  0.847836D+01  0.101357D+01 -0.197014D+01  0.675988D+02
      2  -0.692940D+01 -0.106070D+01 -0.902108D+01  0.303598D+01 -0.368820D+02
      3   0.539620D+01 -0.741766D+01  0.800750D+01 -0.106584D+01 -0.307168D+02
      4   0.126503D+02 -0.122717D+02  0.183532D+02 -0.113913D+02  0.785106D+01
      5  -0.120627D+02  0.765700D+01 -0.115938D+02  0.966745D+01 -0.851609D+00
      6   0.923419D+01 -0.452770D+01  0.948473D+01 -0.778008D+01 -0.153835D+01
               191           192           193           194           195 
      1   0.163711D+02  0.196120D+01  0.352816D+02  0.117589D+02  0.542581D+00
      2  -0.106906D+02 -0.929052D+00 -0.195657D+02 -0.476468D+01 -0.873883D+00
      3  -0.568053D+01 -0.103214D+01 -0.157160D+02 -0.699417D+01  0.331301D+00
      4   0.118569D+02  0.736617D-01  0.132595D+02  0.103902D+02  0.213089D+01
      5  -0.540194D+00  0.880696D+01 -0.178128D+01  0.135277D+01  0.487160D+01
      6  -0.800246D+00 -0.975684D+00 -0.794248D+00 -0.160981D+01  0.154024D+01
               196           197           198           199           200 
      1   0.599095D+01  0.518552D+00  0.506114D+01  0.241982D+02 -0.370268D+01
      2  -0.274318D+01 -0.160662D+01 -0.344471D+01 -0.125876D+02  0.163342D+00
      3  -0.324776D+01  0.108806D+01 -0.161643D+01 -0.116106D+02  0.353933D+01
      4  -0.581437D+00  0.299568D+01  0.183415D+00 -0.145519D+02  0.976328D+01
      5   0.941794D+01  0.957849D+00  0.119003D+00  0.131022D+02 -0.228416D+01
      6  -0.380348D+00  0.205709D+01  0.912899D+00 -0.486210D+01  0.828725D+00
               201           202           203           204           205 
      1   0.102886D+02 -0.449249D+00  0.224011D+01  0.626899D+00  0.168358D+02
      2  -0.579757D+01 -0.114001D+01 -0.569916D+00 -0.954899D+00 -0.982587D+01
      3  -0.449107D+01  0.158926D+01 -0.167020D+01  0.328000D+00 -0.700995D+01
      4  -0.615986D+01  0.745377D+01 -0.271652D+01  0.314148D+01 -0.101143D+02
      5   0.114703D+02 -0.428032D+00  0.307017D+01 -0.215567D+01  0.138866D+02
      6  -0.450320D+01  0.165100D+01 -0.146152D+01  0.376790D+01 -0.642581D+01
               206           207           208           209           210 
      1  -0.225005D+00  0.727364D+01 -0.119485D+01  0.491167D+01 -0.292900D+01
      2  -0.216494D+01 -0.675839D+01  0.475637D+01 -0.899516D+01  0.408400D+01
      3   0.238995D+01 -0.515252D+00 -0.356151D+01  0.408349D+01 -0.115500D+01
      4   0.722434D+01 -0.936268D+01 -0.669482D+01  0.120542D+02 -0.469583D+01
      5  -0.520200D+01  0.130232D+02  0.222481D+01 -0.367689D+01  0.428271D+01
      6   0.392495D+01 -0.590440D+01 -0.498573D+01  0.706951D+01 -0.379506D+01
               211           212           213           214           215 
      1   0.337339D+01 -0.297029D+02  0.124269D+02 -0.359809D+01  0.198409D+02
      2  -0.676443D+01  0.453252D+02 -0.160184D+02  0.538437D+01 -0.247704D+02
      3   0.339104D+01 -0.156223D+02  0.359143D+01 -0.178627D+01  0.492948D+01
      4   0.817960D+01 -0.116578D+02  0.577594D+01 -0.511438D+01  0.844972D+01
      5  -0.223702D+01  0.468041D+01 -0.256029D+01  0.373551D+01 -0.456953D+01
      6   0.536305D+01 -0.248513D+02  0.175874D+02 -0.398518D+01  0.252281D+02
               216           217           218           219           220 
      1  -0.154406D+02 -0.105733D+01 -0.512019D+01 -0.338055D+01 -0.288284D+01
      2   0.130301D+02  0.339206D+01  0.105220D+02  0.541712D+01  0.567917D+01
      3   0.241051D+01 -0.233473D+01 -0.540178D+01 -0.203657D+01 -0.279633D+01
      4  -0.458477D+01  0.774259D+01  0.832041D+01  0.515004D+01  0.592240D+01
      5   0.427723D+01  0.285821D+01  0.205480D+01  0.375950D+01  0.166457D+01
      6  -0.199414D+02  0.572600D+01  0.593757D+01  0.489631D+01  0.512387D+01
               221           222           223           224           225 
      1  -0.161400D+02 -0.646713D+01 -0.588284D+01 -0.120595D+02 -0.117230D+02
      2   0.253077D+02  0.893077D+01  0.596753D+01  0.167117D+02  0.114989D+02
      3  -0.916773D+01 -0.246364D+01 -0.846924D-01 -0.465216D+01  0.224089D+00
      4   0.652452D+01  0.425327D+01  0.658722D+01  0.546265D+01  0.479894D+01
      5   0.191922D+01  0.146592D+01  0.348775D+01  0.191121D+01  0.276927D+01
      6   0.112283D+02  0.128058D+02  0.614111D+01  0.173752D+02  0.167777D+02
               226           227           228           229           230 
      1   0.995589D+01 -0.735524D+00  0.496295D+01 -0.509903D+01 -0.223671D+01
      2  -0.766109D+01  0.455514D+00 -0.349070D+01  0.349298D+01  0.318680D+01
      3  -0.229479D+01  0.280010D+00 -0.147225D+01  0.160605D+01 -0.950086D+00
      4   0.161609D+01  0.144471D+01  0.285460D+01  0.192843D+01  0.330623D+01
      5   0.587728D+01  0.153608D+01  0.121702D+02  0.516413D+00  0.295612D+01
      6   0.239313D+01  0.713508D+00  0.366103D+01  0.105720D+01  0.400637D+00
               231           232           233           234           235 
      1  -0.264362D-01  0.139756D+02  0.141360D+01  0.552918D+01  0.667941D+02
      2   0.884816D+00 -0.835506D+01  0.142089D+01 -0.115611D+02 -0.388726D+02
      3  -0.858379D+00 -0.562055D+01 -0.283449D+01  0.603196D+01 -0.279215D+02
      4   0.346664D+01  0.905607D+01  0.946858D+01  0.568284D+01  0.658807D+01
      5  -0.260407D+00  0.181583D+02  0.398832D+01  0.379305D+02 -0.258144D+02
      6   0.369921D+01  0.603974D+01  0.520989D+01  0.168656D+02 -0.425802D+01
               236           237           238           239           240 
      1  -0.673850D+01 -0.188228D+02 -0.222291D+02  0.473233D+01  0.585606D+01
      2   0.584364D+01  0.129940D+02  0.137924D+02 -0.133863D+01 -0.532702D+01
      3   0.894863D+00  0.582875D+01  0.843670D+01 -0.339370D+01 -0.529045D+00
      4   0.913660D+01 -0.136057D+01  0.581919D+01 -0.305145D+01 -0.389080D+01
      5   0.241431D+01  0.181799D+02  0.800687D+01 -0.492176D+01 -0.660450D+01
      6  -0.752484D+00  0.407820D+01 -0.421738D+00 -0.195775D+00  0.608182D+00
               241           242           243           244           245 
      1  -0.266848D+02  0.250790D+01  0.129068D+02  0.166106D+01  0.541272D+01
      2   0.178541D+02 -0.398707D+01 -0.121364D+02  0.961478D+00 -0.454101D+01
      3   0.883071D+01  0.147917D+01 -0.770353D+00 -0.262254D+01 -0.871712D+00
      4  -0.374495D+01 -0.707293D+01  0.103382D+01  0.176276D+01  0.387513D+01
      5   0.221221D+02 -0.175049D+01 -0.133170D+02 -0.242043D+01 -0.447700D+00
      6   0.402820D+01  0.230522D+01 -0.141422D+01 -0.198933D+01  0.587568D+00
               246           247           248           249           250 
      1  -0.314054D+01  0.569329D+01 -0.210405D+02  0.491750D+01 -0.496223D+01
      2   0.177928D+01  0.302697D+01  0.447846D+02 -0.686240D+01  0.171726D+01
      3   0.136126D+01 -0.872027D+01 -0.237441D+02  0.194489D+01  0.324497D+01
      4  -0.107081D+01  0.171522D+02  0.477335D+02 -0.839557D+01 -0.445132D+01
      5   0.194092D+01 -0.221740D+01 -0.886229D+01  0.792918D+01  0.544254D+01
      6  -0.573716D+00 -0.266586D+01 -0.130230D+02  0.978039D+01  0.231678D+01
               251           252 
      1   0.519359D+01 -0.208229D+01
      2  -0.778535D+01  0.276585D+01
      3   0.259176D+01 -0.683564D+00
      4  -0.103807D+02  0.628768D+01
      5   0.640727D+01 -0.211083D+01
      6   0.970891D+01 -0.433398D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.435381D-03      0.110663D-02      0.369132D-02
   y          0.345650D-01      0.878556D-01      0.293055D+00
   z          0.394025D-01      0.100151D+00      0.334068D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122105D+03      0.180941D+02      0.201325D+02
   yx        -0.124918D+00     -0.185110D-01     -0.205963D-01
   yy         0.109055D+03      0.161603D+02      0.179807D+02
   zx         0.628410D+00      0.931207D-01      0.103611D+00
   zy        -0.115230D+00     -0.170753D-01     -0.189988D-01
   zz         0.105096D+03      0.155736D+02      0.173280D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117008D+03      0.173388D+02      0.192920D+02
   aniso      0.160051D+02      0.237171D+01      0.263888D+01
   xx         0.127375D+03      0.188750D+02      0.210013D+02
   yx        -0.695794D-02     -0.103106D-02     -0.114721D-02
   yy         0.113911D+03      0.168799D+02      0.187814D+02
   zx         0.649135D+00      0.961919D-01      0.107028D+00
   zy        -0.491882D-01     -0.728895D-02     -0.811005D-02
   zz         0.109738D+03      0.162614D+02      0.180933D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.89938988          1.25505079          1.68977102
     6         -2.50302057         -1.25045656          0.21936361
     6         -0.48334272          2.86832662          2.03732938
     6          1.46379954          2.29146733         -0.01757844
     6          2.27887973         -0.54602714          0.07366511
     6         -0.17429523         -1.04637655         -1.49381017
     6          0.06446545          1.68920227         -2.52153335
     1         -3.78062086          0.86848788          3.51469629
     6         -4.86966676         -1.93446403         -1.28353076
     1         -2.16412252         -2.78110531          1.56444834
     1          2.97867149          3.69261183         -0.05096073
     6          2.59485097         -1.82374096          2.63327704
     6          4.66470237         -1.03383009         -1.48144267
     1         -0.10638463         -2.60546485         -2.84659226
     1          1.27572488          1.82127731         -4.17417637
     1         -1.67623718          2.72101427         -2.90575484
     1          0.98969729         -1.56434635          3.89105677
     1          4.26551797         -1.08393344          3.59769423
     1          2.87207004         -3.85669751          2.39119106
     1          4.59040970         -0.17719510         -3.35158912
     1          4.95723845         -3.06303116         -1.73351168
     1          6.32406432         -0.27738274         -0.51141232
     1         -4.27339435          2.37886122          0.63771247
     1         -0.99471972          4.86790299          1.96088672
     1          0.35849874          2.56171428          3.89581953
     1         -5.23613029         -0.53547761         -2.75884273
     1         -6.53218524         -2.00550346         -0.06142526
     1         -4.67000305         -3.77666064         -2.19231831

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524165D-01      0.133229D+00      0.444406D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122094D+03      0.180925D+02      0.201306D+02
   yx        -0.570272D+00     -0.845056D-01     -0.940252D-01
   yy         0.107451D+03      0.159226D+02      0.177163D+02
   zx         0.523973D+00      0.776448D-01      0.863915D-01
   zy         0.194152D+01      0.287703D+00      0.320113D+00
   zz         0.106711D+03      0.158129D+02      0.175943D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117008D+03      0.173388D+02      0.192920D+02
   aniso      0.160051D+02      0.237171D+01      0.263888D+01
   xx         0.127363D+03      0.188733D+02      0.209993D+02
   yx        -0.498009D+00     -0.737973D-01     -0.821106D-01
   yy         0.112148D+03      0.166186D+02      0.184907D+02
   zx         0.621590D+00      0.921102D-01      0.102486D+00
   zy         0.205700D+01      0.304816D+00      0.339154D+00
   zz         0.111513D+03      0.165245D+02      0.183860D+02

 ----------------------------------------------------------------------
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 0000152,-0.00000217,-0.00000011,0.00000072,0.00000113,-0.00000037\\\@


 ART, GLORY, FREEDOM FAIL, BUT NATURE STILL IS FAIR.

                                           -- BYRON
 Job cpu time:       0 days  9 hours 36 minutes 50.8 seconds.
 Elapsed time:       0 days  0 hours 48 minutes 11.9 seconds.
 File lengths (MBytes):  RWF=    463 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 23:42:59 2021.
